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

C22H26N4O2 — CID 655829

IUPAC4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H26N4O2/c1-4-26(5-2)18-13-11-16(12-14-18)20-19(15(3)23-22(28)25-20)21(27)24-17-9-7-6-8-10-17/h6-14,20H,4-5H2,1-3H3,(H,24,27)(H2,23,25,28)
InChIKeyQCNAEROWGYPBLY-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.80
Rot. Bonds6

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

4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 655829) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID655829
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H26N4O2/c1-4-26(5-2)18-13-11-16(12-14-18)20-19(15(3)23-22(28)25-20)21(27)24-17-9-7-6-8-10-17/h6-14,20H,4-5H2,1-3H3,(H,24,27)(H2,23,25,28)
InChIKeyQCNAEROWGYPBLY-UHFFFAOYSA-N
XLogP3.80
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 655829) is 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCN(CC)c1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is QCNAEROWGYPBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-26(5-2)18-13-11-16(12-14-18)20-19(15(3)23-22(28)25-20)21(27)24-17-9-7-6-8-10-17/h6-14,20H,4-5H2,1-3H3,(H,24,27)(H2,23,25,28).
What are the key properties of 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 655829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).