2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide

C9H13ClN4O — CID 63730144

IUPAC2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncnc(Cl)c1C
InChIInChI=1S/C9H13ClN4O/c1-5-7(10)12-4-13-8(5)14-6(2)9(15)11-3/h4,6H,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyHWVFTKATANJYMM-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.98
Rot. Bonds3

About 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide

2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 63730144) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID63730144
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncnc(Cl)c1C
InChIInChI=1S/C9H13ClN4O/c1-5-7(10)12-4-13-8(5)14-6(2)9(15)11-3/h4,6H,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyHWVFTKATANJYMM-UHFFFAOYSA-N
XLogP0.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide 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

2-[(6-chloro-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 63730458
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 65313790
3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83187973
N-methyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686363
2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide
CID 79918137
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80788224
6-chloro-N-(1-cyclopropylethyl)-5-methylpyrimidin-4-amine
CID 63730461
2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid
CID 83619941
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 113408057
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756840
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136974772

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide (CID 63730144) is 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1ncnc(Cl)c1C.
What is the InChIKey of 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is HWVFTKATANJYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-5-7(10)12-4-13-8(5)14-6(2)9(15)11-3/h4,6H,1-3H3,(H,11,15)(H,12,13,14).
What are the key properties of 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 228.68 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 63730144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).