2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide

C12H19ClN4O — CID 80970815

IUPAC2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
SMILESCCCc1nc(Cl)c(C)c(N(C)CC(=O)NC)n1
InChIInChI=1S/C12H19ClN4O/c1-5-6-9-15-11(13)8(2)12(16-9)17(4)7-10(18)14-3/h5-7H2,1-4H3,(H,14,18)
InChIKeyYPUOKBKJNFQICD-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.57
Rot. Bonds5

About 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide

2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide (PubChem CID 80970815) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
PubChem CID80970815
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
SMILESCCCc1nc(Cl)c(C)c(N(C)CC(=O)NC)n1
InChIInChI=1S/C12H19ClN4O/c1-5-6-9-15-11(13)8(2)12(16-9)17(4)7-10(18)14-3/h5-7H2,1-4H3,(H,14,18)
InChIKeyYPUOKBKJNFQICD-UHFFFAOYSA-N
XLogP1.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide 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-ethyl-2-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80987499
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 79555514
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103666
6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine
CID 80977700
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80986192
N-methyl-3-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 106918503
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 133334392
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80983230
2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80972549
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80987749
6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80979316
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80971413

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide (CID 80970815) is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide is CCCc1nc(Cl)c(C)c(N(C)CC(=O)NC)n1.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide?
The InChIKey is YPUOKBKJNFQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-5-6-9-15-11(13)8(2)12(16-9)17(4)7-10(18)14-3/h5-7H2,1-4H3,(H,14,18).
What are the key properties of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide?
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide has a molecular weight of 270.76 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 80970815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).