6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide

C17H21ClN4O — CID 109370085

IUPAC6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C17H21ClN4O/c1-4-22(5-2)17(23)15-10-16(21-12(3)20-15)19-11-13-6-8-14(18)9-7-13/h6-10H,4-5,11H2,1-3H3,(H,19,20,21)
InChIKeyKEPSPEWQDIITNG-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.53
Rot. Bonds6

About 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide

6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109370085) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
PubChem CID109370085
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C17H21ClN4O/c1-4-22(5-2)17(23)15-10-16(21-12(3)20-15)19-11-13-6-8-14(18)9-7-13/h6-10H,4-5,11H2,1-3H3,(H,19,20,21)
InChIKeyKEPSPEWQDIITNG-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373410
6-[(4-methoxyphenyl)methylamino]-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109370368
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370106
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360009
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109360992
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 109370132
N,N-diethyl-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364679
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109328957
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385
6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373516
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109331673

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide (CID 109370085) is 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(NCc2ccc(Cl)cc2)nc(C)n1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is KEPSPEWQDIITNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-22(5-2)17(23)15-10-16(21-12(3)20-15)19-11-13-6-8-14(18)9-7-13/h6-10H,4-5,11H2,1-3H3,(H,19,20,21).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).