(4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C18H18N4O2 — CID 40964701

IUPAC(4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC(=O)NC(Nc3ccccc3)=N2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-7-9-14(10-8-12)19-17(24)15-11-16(23)22-18(21-15)20-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,19,24)(H2,20,21,22,23)/t15-/m1/s1
InChIKeyCZYKKXYLAGRQFX-OAHLLOKOSA-N
MW322.37 g/mol
LogP2.29
Rot. Bonds3

About (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 40964701) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID40964701
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC(=O)NC(Nc3ccccc3)=N2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-7-9-14(10-8-12)19-17(24)15-11-16(23)22-18(21-15)20-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,19,24)(H2,20,21,22,23)/t15-/m1/s1
InChIKeyCZYKKXYLAGRQFX-OAHLLOKOSA-N
XLogP2.29
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41168544
(4R)-2-(4-fluoroanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 6579586
(4S)-2-anilino-N-(1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182148
(4S)-2-anilino-N-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41031906
(4S)-2-(2,4-dichloroanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1214426
(4R)-2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40975994
(4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182756
(4R)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182757
(4S)-2-(1,3-benzothiazol-2-ylamino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1343056
(4R)-2-(1,3-benzothiazol-2-ylamino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1343055
(4S)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1153001
(4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1146691

Frequently Asked Questions

What is the IUPAC name of (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 40964701) is (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc(NC(=O)[C@H]2CC(=O)NC(Nc3ccccc3)=N2)cc1.
What is the InChIKey of (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is CZYKKXYLAGRQFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-7-9-14(10-8-12)19-17(24)15-11-16(23)22-18(21-15)20-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,19,24)(H2,20,21,22,23)/t15-/m1/s1.
What are the key properties of (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
(4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 40964701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).