N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide

C21H22N4O2 — CID 109369513

IUPACN-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)N(C)Cc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-22-19(21(26)25(2)14-16-7-5-4-6-8-16)13-20(23-15)24-17-9-11-18(27-3)12-10-17/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyMUSJNGAPBVAFTC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.81
Rot. Bonds6

About N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide

N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 109369513) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID109369513
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)N(C)Cc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-22-19(21(26)25(2)14-16-7-5-4-6-8-16)13-20(23-15)24-17-9-11-18(27-3)12-10-17/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyMUSJNGAPBVAFTC-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-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

N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109369543
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide
CID 1096806
N-benzyl-6-(3-chloro-2-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 109369504
6-anilino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372217
6-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370328
N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109366300
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109361864
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849731

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide (CID 109369513) is N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)N(C)Cc3ccccc3)nc(C)n2)cc1.
What is the InChIKey of N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is MUSJNGAPBVAFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-22-19(21(26)25(2)14-16-7-5-4-6-8-16)13-20(23-15)24-17-9-11-18(27-3)12-10-17/h4-13H,14H2,1-3H3,(H,22,23,24).
What are the key properties of N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide?
N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).