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

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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).