(5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one

C23H23N5O2 — CID 89247746

IUPAC(5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](c2ccc(-n3ccccc3=O)cc2)[C@@](C)(c2cccc(N)c2)N=C1N
InChIInChI=1S/C23H23N5O2/c1-23(16-6-5-7-17(24)14-16)20(21(30)27(2)22(25)26-23)15-9-11-18(12-10-15)28-13-4-3-8-19(28)29/h3-14,20H,24H2,1-2H3,(H2,25,26)/t20-,23+/m0/s1
InChIKeyWGUZYMKAIIUMKN-NZQKXSOJSA-N
MW401.47 g/mol
LogP2.21
Rot. Bonds3

About (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one

(5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one (PubChem CID 89247746) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one
PubChem CID89247746
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](c2ccc(-n3ccccc3=O)cc2)[C@@](C)(c2cccc(N)c2)N=C1N
InChIInChI=1S/C23H23N5O2/c1-23(16-6-5-7-17(24)14-16)20(21(30)27(2)22(25)26-23)15-9-11-18(12-10-15)28-13-4-3-8-19(28)29/h3-14,20H,24H2,1-2H3,(H2,25,26)/t20-,23+/m0/s1
InChIKeyWGUZYMKAIIUMKN-NZQKXSOJSA-N
XLogP2.21
TPSA106.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)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

Related Compounds

(5R,6S)-2-amino-5-(4-tert-butylphenyl)-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one
CID 59387380
(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-iodophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 70143132
(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-iodophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 89015533
3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-piperidin-1-ylphenyl)-5H-pyrimidin-4-yl]benzonitrile
CID 89005142
(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-3,6-dimethyl-5-(4-phenylphenyl)-5H-pyrimidin-4-one
CID 89005204
(5R,6S)-2-amino-5-[4-(2-fluoropropan-2-yl)phenyl]-3,6-dimethyl-6-(3-methylsulfonylphenyl)-5H-pyrimidin-4-one
CID 89247727
(5R,6S)-2-amino-6-[3-(1-aminocyclopropyl)phenyl]-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248274
4-[(4S)-2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]-2-methylbenzonitrile
CID 70135047
(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one
CID 89005327
5-[3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzene-1,3-dicarbonitrile
CID 70304746
N-[4-[2-amino-4-(3-cyanophenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]-N-methylmethanesulfinamide
CID 145461668
3-[(4S,5S)-2-amino-5-(4-tert-butylsulfonylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile
CID 89005011

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one?
The IUPAC name of (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one (CID 89247746) is (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one.
What is the SMILES notation for (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one?
The canonical SMILES for (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one is CN1C(=O)[C@H](c2ccc(-n3ccccc3=O)cc2)[C@@](C)(c2cccc(N)c2)N=C1N.
What is the InChIKey of (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one?
The InChIKey is WGUZYMKAIIUMKN-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-23(16-6-5-7-17(24)14-16)20(21(30)27(2)22(25)26-23)15-9-11-18(12-10-15)28-13-4-3-8-19(28)29/h3-14,20H,24H2,1-2H3,(H2,25,26)/t20-,23+/m0/s1.
What are the key properties of (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one?
(5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one has a molecular weight of 401.47 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 89247746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).