(4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H23N3O3 — CID 40728508

IUPAC(4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C21H23N3O3/c1-12-9-10-13(2)16(11-12)23-20(25)18-14(3)22-21(26)24-19(18)15-7-5-6-8-17(15)27-4/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26)/t19-/m0/s1
InChIKeyHUAKCNMCQGNTHV-IBGZPJMESA-N
MW365.43 g/mol
LogP3.58
Rot. Bonds4

About (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 40728508) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID40728508
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C21H23N3O3/c1-12-9-10-13(2)16(11-12)23-20(25)18-14(3)22-21(26)24-19(18)15-7-5-6-8-17(15)27-4/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26)/t19-/m0/s1
InChIKeyHUAKCNMCQGNTHV-IBGZPJMESA-N
XLogP3.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23904549
4-(2-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 46134950
4-(2-methoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 19616192
(4S)-N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1128004
N-(2-methoxyphenyl)-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2921555
(4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124466
N-(5-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3134365
(4R)-4-(2,3-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40728513
(4S)-4-(2,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1158692
(4R)-4-(2-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124277
N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4079326
(4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7715268

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 40728508) is (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is HUAKCNMCQGNTHV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12-9-10-13(2)16(11-12)23-20(25)18-14(3)22-21(26)24-19(18)15-7-5-6-8-17(15)27-4/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26)/t19-/m0/s1.
What are the key properties of (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 40728508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).