N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

C22H24N4O — CID 109368973

IUPACN-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCc2ccc(C)cc2)nc(C)n1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-4-26(19-8-6-5-7-9-19)22(27)20-14-21(25-17(3)24-20)23-15-18-12-10-16(2)11-13-18/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyKRRVUJWYBBXDDZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.37
Rot. Bonds6

About N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (PubChem CID 109368973) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
PubChem CID109368973
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCc2ccc(C)cc2)nc(C)n1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-4-26(19-8-6-5-7-9-19)22(27)20-14-21(25-17(3)24-20)23-15-18-12-10-16(2)11-13-18/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyKRRVUJWYBBXDDZ-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362029
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371076
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109364480
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109370085
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109368269

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (CID 109368973) is N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(NCc2ccc(C)cc2)nc(C)n1)c1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is KRRVUJWYBBXDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(19-8-6-5-7-9-19)22(27)20-14-21(25-17(3)24-20)23-15-18-12-10-16(2)11-13-18/h5-14H,4,15H2,1-3H3,(H,23,24,25).
What are the key properties of N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).