N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide

C19H15Cl2N3O2 — CID 108786335

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(Cl)c1
InChIInChI=1S/C19H15Cl2N3O2/c1-10-7-11(2)16(15(21)8-10)23-18(25)14-9-22-17(24-19(14)26)12-3-5-13(20)6-4-12/h3-9H,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyRFUOZVRMXSMQQF-UHFFFAOYSA-N
MW388.25 g/mol
LogP4.61
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108786335) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108786335
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(Cl)c1
InChIInChI=1S/C19H15Cl2N3O2/c1-10-7-11(2)16(15(21)8-10)23-18(25)14-9-22-17(24-19(14)26)12-3-5-13(20)6-4-12/h3-9H,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyRFUOZVRMXSMQQF-UHFFFAOYSA-N
XLogP4.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799250
2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799405
2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786231
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
CID 108799261
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629
N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799334
4-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-3-hydroxybenzoic acid
CID 108799385
2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799350
2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809663
2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786296

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 108786335) is N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RFUOZVRMXSMQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-10-7-11(2)16(15(21)8-10)23-18(25)14-9-22-17(24-19(14)26)12-3-5-13(20)6-4-12/h3-9H,1-2H3,(H,23,25)(H,22,24,26).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 388.25 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108786335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).