N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide

C10H14ClN3O — CID 13114244

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide
SMILESCc1cc(Cl)nc(CNC(=O)C(C)C)n1
InChIInChI=1S/C10H14ClN3O/c1-6(2)10(15)12-5-9-13-7(3)4-8(11)14-9/h4,6H,5H2,1-3H3,(H,12,15)
InChIKeyQBHSWYYNJPBFKP-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.71
Rot. Bonds3

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide (PubChem CID 13114244) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide
PubChem CID13114244
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide
SMILESCc1cc(Cl)nc(CNC(=O)C(C)C)n1
InChIInChI=1S/C10H14ClN3O/c1-6(2)10(15)12-5-9-13-7(3)4-8(11)14-9/h4,6H,5H2,1-3H3,(H,12,15)
InChIKeyQBHSWYYNJPBFKP-UHFFFAOYSA-N
XLogP1.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide (CID 13114244) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide is Cc1cc(Cl)nc(CNC(=O)C(C)C)n1.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide?
The InChIKey is QBHSWYYNJPBFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6(2)10(15)12-5-9-13-7(3)4-8(11)14-9/h4,6H,5H2,1-3H3,(H,12,15).
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide has a molecular weight of 227.69 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 13114244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).