3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C11H17ClN4O — CID 63730182

IUPAC3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCc1nc(Cl)c(C)c(NCCC(=O)N(C)C)n1
InChIInChI=1S/C11H17ClN4O/c1-7-10(12)14-8(2)15-11(7)13-6-5-9(17)16(3)4/h5-6H2,1-4H3,(H,13,14,15)
InChIKeyFQQOYQXZYAFZPU-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.64
Rot. Bonds4

About 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 63730182) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID63730182
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCc1nc(Cl)c(C)c(NCCC(=O)N(C)C)n1
InChIInChI=1S/C11H17ClN4O/c1-7-10(12)14-8(2)15-11(7)13-6-5-9(17)16(3)4/h5-6H2,1-4H3,(H,13,14,15)
InChIKeyFQQOYQXZYAFZPU-UHFFFAOYSA-N
XLogP1.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide 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 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 63730182) is 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is Cc1nc(Cl)c(C)c(NCCC(=O)N(C)C)n1.
What is the InChIKey of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is FQQOYQXZYAFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7-10(12)14-8(2)15-11(7)13-6-5-9(17)16(3)4/h5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 256.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 63730182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).