N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide

C20H22N6O — CID 126447211

IUPACN-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
SMILESCNc1cc(C)nc(-c2cccc(C(=O)N(C)[C@H](C)c3ccncn3)c2)n1
InChIInChI=1S/C20H22N6O/c1-13-10-18(21-3)25-19(24-13)15-6-5-7-16(11-15)20(27)26(4)14(2)17-8-9-22-12-23-17/h5-12,14H,1-4H3,(H,21,24,25)/t14-/m1/s1
InChIKeyGZQXDQNIFXZKQE-CQSZACIVSA-N
MW362.44 g/mol
LogP3.12
Rot. Bonds5

About N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide

N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide (PubChem CID 126447211) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
PubChem CID126447211
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
SMILESCNc1cc(C)nc(-c2cccc(C(=O)N(C)[C@H](C)c3ccncn3)c2)n1
InChIInChI=1S/C20H22N6O/c1-13-10-18(21-3)25-19(24-13)15-6-5-7-16(11-15)20(27)26(4)14(2)17-8-9-22-12-23-17/h5-12,14H,1-4H3,(H,21,24,25)/t14-/m1/s1
InChIKeyGZQXDQNIFXZKQE-CQSZACIVSA-N
XLogP3.12
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide 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

3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 125440550
N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122568737
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide
CID 126441900
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 118768447
N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 45193089
N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
CID 46992793
N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006
4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122565737
5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 50981802
3-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-methyl-1-(1-pyrimidin-4-ylethyl)urea
CID 122572098
N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 62499474
1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide
CID 70721608

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide?
The IUPAC name of N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide (CID 126447211) is N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide.
What is the SMILES notation for N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide?
The canonical SMILES for N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide is CNc1cc(C)nc(-c2cccc(C(=O)N(C)[C@H](C)c3ccncn3)c2)n1.
What is the InChIKey of N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide?
The InChIKey is GZQXDQNIFXZKQE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13-10-18(21-3)25-19(24-13)15-6-5-7-16(11-15)20(27)26(4)14(2)17-8-9-22-12-23-17/h5-12,14H,1-4H3,(H,21,24,25)/t14-/m1/s1.
What are the key properties of N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide?
N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide has a molecular weight of 362.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide is sourced from PubChem (CID 126447211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).