N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H15ClN4O2 — CID 4603454

IUPACN-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2Cl)C(c2ccc(C#N)cc2)NC(=O)N1
InChIInChI=1S/C19H15ClN4O2/c1-11-16(18(25)23-15-5-3-2-4-14(15)20)17(24-19(26)22-11)13-8-6-12(10-21)7-9-13/h2-9,17H,1H3,(H,23,25)(H2,22,24,26)
InChIKeyTUPSCYYCKPGQQH-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.48
Rot. Bonds3

About N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 4603454) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID4603454
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2Cl)C(c2ccc(C#N)cc2)NC(=O)N1
InChIInChI=1S/C19H15ClN4O2/c1-11-16(18(25)23-15-5-3-2-4-14(15)20)17(24-19(26)22-11)13-8-6-12(10-21)7-9-13/h2-9,17H,1H3,(H,23,25)(H2,22,24,26)
InChIKeyTUPSCYYCKPGQQH-UHFFFAOYSA-N
XLogP3.48
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-bromophenyl)-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1352632
N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2980706
(4R)-4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1068666
N-(4-bromophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3888660
(4S)-4-(2-bromophenyl)-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40816986
N-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23935233
(4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 35139481
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
(4R)-4-(4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 810290
N-(2-chlorophenyl)-6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874516
4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4830603
6-methyl-N-(2-methylphenyl)-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4672551

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 4603454) is N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2Cl)C(c2ccc(C#N)cc2)NC(=O)N1.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is TUPSCYYCKPGQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-11-16(18(25)23-15-5-3-2-4-14(15)20)17(24-19(26)22-11)13-8-6-12(10-21)7-9-13/h2-9,17H,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4603454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).