N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide

C12H19N3O2 — CID 22964991

IUPACN-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide
SMILESCCC(C)n1ccc(NC(=O)C(C)C)nc1=O
InChIInChI=1S/C12H19N3O2/c1-5-9(4)15-7-6-10(14-12(15)17)13-11(16)8(2)3/h6-9H,5H2,1-4H3,(H,13,14,16,17)
InChIKeyRMSMGENHFZOLSG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.81
Rot. Bonds4

About N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide

N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide (PubChem CID 22964991) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide
PubChem CID22964991
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide
SMILESCCC(C)n1ccc(NC(=O)C(C)C)nc1=O
InChIInChI=1S/C12H19N3O2/c1-5-9(4)15-7-6-10(14-12(15)17)13-11(16)8(2)3/h6-9H,5H2,1-4H3,(H,13,14,16,17)
InChIKeyRMSMGENHFZOLSG-UHFFFAOYSA-N
XLogP1.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-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-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide?
The IUPAC name of N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide (CID 22964991) is N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide is CCC(C)n1ccc(NC(=O)C(C)C)nc1=O.
What is the InChIKey of N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide?
The InChIKey is RMSMGENHFZOLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-9(4)15-7-6-10(14-12(15)17)13-11(16)8(2)3/h6-9H,5H2,1-4H3,(H,13,14,16,17).
What are the key properties of N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide?
N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 22964991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).