(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one

C19H19N7O — CID 59386916

IUPAC(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cccc(-c3cccc(-c4nn[nH]n4)c3)c2)N=C1N
InChIInChI=1S/C19H19N7O/c1-19(11-16(27)26(2)18(20)21-19)15-8-4-6-13(10-15)12-5-3-7-14(9-12)17-22-24-25-23-17/h3-10H,11H2,1-2H3,(H2,20,21)(H,22,23,24,25)/t19-/m0/s1
InChIKeyJTEUNUJMNPWVDF-IBGZPJMESA-N
MW361.41 g/mol
LogP1.93
Rot. Bonds3

About (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one

(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one (PubChem CID 59386916) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one
PubChem CID59386916
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cccc(-c3cccc(-c4nn[nH]n4)c3)c2)N=C1N
InChIInChI=1S/C19H19N7O/c1-19(11-16(27)26(2)18(20)21-19)15-8-4-6-13(10-15)12-5-3-7-14(9-12)17-22-24-25-23-17/h3-10H,11H2,1-2H3,(H2,20,21)(H,22,23,24,25)/t19-/m0/s1
InChIKeyJTEUNUJMNPWVDF-IBGZPJMESA-N
XLogP1.93
TPSA113.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one (CID 59386916) is (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(-c4nn[nH]n4)c3)c2)N=C1N.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one?
The InChIKey is JTEUNUJMNPWVDF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N7O/c1-19(11-16(27)26(2)18(20)21-19)15-8-4-6-13(10-15)12-5-3-7-14(9-12)17-22-24-25-23-17/h3-10H,11H2,1-2H3,(H2,20,21)(H,22,23,24,25)/t19-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one has a molecular weight of 361.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 59386916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).