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

C21H23N3O4 — CID 2850737

IUPAC4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1OC
InChIInChI=1S/C21H23N3O4/c1-12-8-10-14(11-9-12)23-20(25)17-13(2)22-21(26)24-18(17)15-6-5-7-16(27-3)19(15)28-4/h5-11,18H,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyFKEDKBINFDHTCT-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.28
Rot. Bonds5

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

4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2850737) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2850737
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1OC
InChIInChI=1S/C21H23N3O4/c1-12-8-10-14(11-9-12)23-20(25)17-13(2)22-21(26)24-18(17)15-6-5-7-16(27-3)19(15)28-4/h5-11,18H,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyFKEDKBINFDHTCT-UHFFFAOYSA-N
XLogP3.28
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2850737) is 4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is FKEDKBINFDHTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-12-8-10-14(11-9-12)23-20(25)17-13(2)22-21(26)24-18(17)15-6-5-7-16(27-3)19(15)28-4/h5-11,18H,1-4H3,(H,23,25)(H2,22,24,26).
What are the key properties of 4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2850737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).