(6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C21H23N3O3 — CID 1000116

IUPAC(6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H23N3O3/c1-13-7-5-6-8-17(13)22-20(25)18-14(2)24(3)21(26)23-19(18)15-9-11-16(27-4)12-10-15/h5-12,19H,1-4H3,(H,22,25)(H,23,26)/t19-/m1/s1
InChIKeyDSAGSQPEABCEOV-LJQANCHMSA-N
MW365.43 g/mol
LogP3.61
Rot. Bonds4

About (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide

(6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 1000116) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID1000116
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H23N3O3/c1-13-7-5-6-8-17(13)22-20(25)18-14(2)24(3)21(26)23-19(18)15-9-11-16(27-4)12-10-15/h5-12,19H,1-4H3,(H,22,25)(H,23,26)/t19-/m1/s1
InChIKeyDSAGSQPEABCEOV-LJQANCHMSA-N
XLogP3.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2849941
(6R)-3,4-dimethyl-N-(2-methylphenyl)-2-sulfanylidene-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide
CID 11922933
methyl (6R)-3,4-dimethyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 8862720
(5S)-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 40644905
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
methyl 3-(4-methoxyphenyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 18171059
(4R)-4-(4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 810290
(4R)-4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1068666
N-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-N'-(2-methylphenyl)oxamide
CID 95300072
4-(4-methoxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142904
(6S)-6-(3-fluorophenyl)-3,4-dimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide
CID 9449376
(7R)-7-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1191094

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 1000116) is (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide is COc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is DSAGSQPEABCEOV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-7-5-6-8-17(13)22-20(25)18-14(2)24(3)21(26)23-19(18)15-9-11-16(27-4)12-10-15/h5-12,19H,1-4H3,(H,22,25)(H,23,26)/t19-/m1/s1.
What are the key properties of (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
(6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 1000116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).