4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H22N4O2 — CID 659772

IUPAC4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)NC(=O)N1
InChIInChI=1S/C20H22N4O2/c1-13-17(19(25)22-15-7-5-4-6-8-15)18(23-20(26)21-13)14-9-11-16(12-10-14)24(2)3/h4-12,18H,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeySIZYJBMJALZXEF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.02
Rot. Bonds4

About 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 659772) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID659772
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)NC(=O)N1
InChIInChI=1S/C20H22N4O2/c1-13-17(19(25)22-15-7-5-4-6-8-15)18(23-20(26)21-13)14-9-11-16(12-10-14)24(2)3/h4-12,18H,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeySIZYJBMJALZXEF-UHFFFAOYSA-N
XLogP3.02
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 659772) is 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)NC(=O)N1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is SIZYJBMJALZXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-17(19(25)22-15-7-5-4-6-8-15)18(23-20(26)21-13)14-9-11-16(12-10-14)24(2)3/h4-12,18H,1-3H3,(H,22,25)(H2,21,23,26).
What are the key properties of 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 659772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).