3-methyl-N-(4-methylpyrimidin-2-yl)butanamide

C10H15N3O — CID 1228231

IUPAC3-methyl-N-(4-methylpyrimidin-2-yl)butanamide
SMILESCc1ccnc(NC(=O)CC(C)C)n1
InChIInChI=1S/C10H15N3O/c1-7(2)6-9(14)13-10-11-5-4-8(3)12-10/h4-5,7H,6H2,1-3H3,(H,11,12,13,14)
InChIKeyOBRABXXCWCTEIP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.77
Rot. Bonds3

About 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide

3-methyl-N-(4-methylpyrimidin-2-yl)butanamide (PubChem CID 1228231) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylpyrimidin-2-yl)butanamide
PubChem CID1228231
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-methyl-N-(4-methylpyrimidin-2-yl)butanamide
SMILESCc1ccnc(NC(=O)CC(C)C)n1
InChIInChI=1S/C10H15N3O/c1-7(2)6-9(14)13-10-11-5-4-8(3)12-10/h4-5,7H,6H2,1-3H3,(H,11,12,13,14)
InChIKeyOBRABXXCWCTEIP-UHFFFAOYSA-N
XLogP1.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide?
The IUPAC name of 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide (CID 1228231) is 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide?
The canonical SMILES for 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide is Cc1ccnc(NC(=O)CC(C)C)n1.
What is the InChIKey of 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide?
The InChIKey is OBRABXXCWCTEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)6-9(14)13-10-11-5-4-8(3)12-10/h4-5,7H,6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide?
3-methyl-N-(4-methylpyrimidin-2-yl)butanamide has a molecular weight of 193.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpyrimidin-2-yl)butanamide is sourced from PubChem (CID 1228231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).