N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide

C22H22N4O — CID 109360923

IUPACN-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H22N4O/c1-16-23-20(14-21(24-16)25-18-12-13-18)22(27)26(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-11,14,18H,12-13,15H2,1H3,(H,23,24,25)
InChIKeyIXRVOLZAMVWKKB-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.21
Rot. Bonds6

About N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide

N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109360923) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109360923
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H22N4O/c1-16-23-20(14-21(24-16)25-18-12-13-18)22(27)26(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-11,14,18H,12-13,15H2,1H3,(H,23,24,25)
InChIKeyIXRVOLZAMVWKKB-UHFFFAOYSA-N
XLogP4.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360842
N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362083
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360175
6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362029
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide (CID 109360923) is N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(NC2CC2)cc(C(=O)N(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is IXRVOLZAMVWKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-23-20(14-21(24-16)25-18-12-13-18)22(27)26(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-11,14,18H,12-13,15H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide?
N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).