N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide

C22H23ClN4O — CID 109328957

IUPACN-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C22H23ClN4O/c1-3-27(15-18-7-5-4-6-8-18)21(28)20-13-16(2)25-22(26-20)24-14-17-9-11-19(23)12-10-17/h4-13H,3,14-15H2,1-2H3,(H,24,25,26)
InChIKeyJQCCZEKUMNBHFY-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.71
Rot. Bonds7

About N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide

N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109328957) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide
PubChem CID109328957
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C22H23ClN4O/c1-3-27(15-18-7-5-4-6-8-18)21(28)20-13-16(2)25-22(26-20)24-14-17-9-11-19(23)12-10-17/h4-13H,3,14-15H2,1-2H3,(H,24,25,26)
InChIKeyJQCCZEKUMNBHFY-UHFFFAOYSA-N
XLogP4.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583
N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109329547
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109331673
N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109329593
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109327813
6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109370085
N-benzyl-2-(5-chloro-2-methylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306840
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide (CID 109328957) is N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(C)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is JQCCZEKUMNBHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-3-27(15-18-7-5-4-6-8-18)21(28)20-13-16(2)25-22(26-20)24-14-17-9-11-19(23)12-10-17/h4-13H,3,14-15H2,1-2H3,(H,24,25,26).
What are the key properties of N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide?
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).