3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

C10H16N4O3 — CID 136671885

IUPAC3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCOc1c(NC(C)(C)CC(N)=O)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-10(2,4-6(11)15)14-8-7(17-3)9(16)13-5-12-8/h5H,4H2,1-3H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyKGOCVULIZMLODM-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.16
Rot. Bonds5

About 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 136671885) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID136671885
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCOc1c(NC(C)(C)CC(N)=O)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-10(2,4-6(11)15)14-8-7(17-3)9(16)13-5-12-8/h5H,4H2,1-3H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyKGOCVULIZMLODM-UHFFFAOYSA-N
XLogP-0.16
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide 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 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (CID 136671885) is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is COc1c(NC(C)(C)CC(N)=O)nc[nH]c1=O.
What is the InChIKey of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is KGOCVULIZMLODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,4-6(11)15)14-8-7(17-3)9(16)13-5-12-8/h5H,4H2,1-3H3,(H2,11,15)(H2,12,13,14,16).
What are the key properties of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 240.26 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 136671885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).