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

C22H25N3O5 — CID 1124466

IUPAC(4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C22H25N3O5/c1-12-8-6-7-9-15(12)24-21(26)19-13(2)23-22(27)25-20(19)14-10-17(29-4)18(30-5)11-16(14)28-3/h6-11,20H,1-5H3,(H,24,26)(H2,23,25,27)/t20-/m0/s1
InChIKeyGVVOTLHQKVOWHB-FQEVSTJZSA-N
MW411.46 g/mol
LogP3.29
Rot. Bonds6

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

(4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 1124466) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is (4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID1124466
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name(4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C22H25N3O5/c1-12-8-6-7-9-15(12)24-21(26)19-13(2)23-22(27)25-20(19)14-10-17(29-4)18(30-5)11-16(14)28-3/h6-11,20H,1-5H3,(H,24,26)(H2,23,25,27)/t20-/m0/s1
InChIKeyGVVOTLHQKVOWHB-FQEVSTJZSA-N
XLogP3.29
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 46134950
6-methyl-2-oxo-N-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3107278
N-(2-methoxyphenyl)-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2921555
4-(3-methoxy-4-methylphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23825573
4-(2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2851771
(4S)-4-(2,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7157518
(4S)-N-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40728508
4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2849941
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
methyl 6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2867495
(4S)-4-(2,6-difluorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8005259
(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)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 1124466) is (4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1cc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of (4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is GVVOTLHQKVOWHB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-12-8-6-7-9-15(12)24-21(26)19-13(2)23-22(27)25-20(19)14-10-17(29-4)18(30-5)11-16(14)28-3/h6-11,20H,1-5H3,(H,24,26)(H2,23,25,27)/t20-/m0/s1.
What are the key properties of (4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 1124466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).