N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide

C11H16N4O2 — CID 54283086

IUPACN-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1ccncn1)C(N)=O
InChIInChI=1S/C11H16N4O2/c1-7(2)5-9(10(12)16)15-11(17)8-3-4-13-6-14-8/h3-4,6-7,9H,5H2,1-2H3,(H2,12,16)(H,15,17)
InChIKeyOGRWLOCHMDWZHC-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.11
Rot. Bonds5

About N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide

N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide (PubChem CID 54283086) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide
PubChem CID54283086
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1ccncn1)C(N)=O
InChIInChI=1S/C11H16N4O2/c1-7(2)5-9(10(12)16)15-11(17)8-3-4-13-6-14-8/h3-4,6-7,9H,5H2,1-2H3,(H2,12,16)(H,15,17)
InChIKeyOGRWLOCHMDWZHC-UHFFFAOYSA-N
XLogP0.11
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide 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-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide (CID 54283086) is N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide is CC(C)CC(NC(=O)c1ccncn1)C(N)=O.
What is the InChIKey of N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is OGRWLOCHMDWZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(2)5-9(10(12)16)15-11(17)8-3-4-13-6-14-8/h3-4,6-7,9H,5H2,1-2H3,(H2,12,16)(H,15,17).
What are the key properties of N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide?
N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methyl-1-oxopentan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54283086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).