5274263 1 2 3 4 5 6 7 8 9 10 11 12 13 8 7 7 7 6 6 6 6 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 6 6 7 8 13 5 8 7 8 5 11 12 6 7 9 10 1 1 2 1 1 2 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 6.001 4.269 5.135 2.5369 3.403 3.403 4.269 5.135 2.866 4.269 2 2.5369 6.538 -0.69 -0.69 0.81 -0.69 -0.19 0.81 1.31 -0.19 1.12 1.93 -0.38 -1.31 -0.38 8 8 8 8 8 8 2 2 3 3 5 6 5 8 7 8 6 7 0 Compound Canonicalized 5 2007.06.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 77.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371806320000000000000000000000000000000000000002C0000000000000000018000001E00100800000800C112043DB096481200A000326764008080291102A00950203864148008804048400404080810024000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-aminopyrimidin-2-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-amino-2-pyrimidinol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-aminopyrimidin-2-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-aminopyrimidin-2-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-azanylpyrimidin-2-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-aminopyrimidin-2-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OPTASPLRGRRNAP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -0.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 111.043261792 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C4H5N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 111.10 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CN=C(N=C1N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CN=C(N=C1N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 72 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 111.043261792 8 0 0 0 0 0 0 0 1 -1