N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C21H18Cl2N6O2 — CID 2902589

IUPACN-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc2nc(NC3=NC(C(=O)Nc4ccc(Cl)c(Cl)c4)CC(=O)N3)nc(C)c2c1
InChIInChI=1S/C21H18Cl2N6O2/c1-10-3-6-16-13(7-10)11(2)24-20(26-16)29-21-27-17(9-18(30)28-21)19(31)25-12-4-5-14(22)15(23)8-12/h3-8,17H,9H2,1-2H3,(H,25,31)(H2,24,26,27,28,29,30)
InChIKeyQHNPYAFRHFRRKI-UHFFFAOYSA-N
MW457.32 g/mol
LogP3.85
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2902589) has the molecular formula C21H18Cl2N6O2 and a molecular weight of 457.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID2902589
Molecular FormulaC21H18Cl2N6O2
Molecular Weight457.32 g/mol
Exact Mass456.09
IUPAC NameN-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc2nc(NC3=NC(C(=O)Nc4ccc(Cl)c(Cl)c4)CC(=O)N3)nc(C)c2c1
InChIInChI=1S/C21H18Cl2N6O2/c1-10-3-6-16-13(7-10)11(2)24-20(26-16)29-21-27-17(9-18(30)28-21)19(31)25-12-4-5-14(22)15(23)8-12/h3-8,17H,9H2,1-2H3,(H,25,31)(H2,24,26,27,28,29,30)
InChIKeyQHNPYAFRHFRRKI-UHFFFAOYSA-N
XLogP3.85
TPSA108.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1344549
(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
(4S)-2-(2,4-dichloroanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1214426
(4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41168544
(4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40964701
(4S)-2-anilino-N-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41031906
(4R)-2-(4-fluoroanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 6579586
(4R)-2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40975994
(4R)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182757
(4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182756
(4S)-2-anilino-N-(1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182148

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2902589) is N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc2nc(NC3=NC(C(=O)Nc4ccc(Cl)c(Cl)c4)CC(=O)N3)nc(C)c2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is QHNPYAFRHFRRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6O2/c1-10-3-6-16-13(7-10)11(2)24-20(26-16)29-21-27-17(9-18(30)28-21)19(31)25-12-4-5-14(22)15(23)8-12/h3-8,17H,9H2,1-2H3,(H,25,31)(H2,24,26,27,28,29,30).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 457.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2902589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).