2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

C10H16N4O3 — CID 136784834

IUPAC2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCOc1c(NC(C(N)=O)C(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-5(2)6(8(11)15)14-9-7(17-3)10(16)13-4-12-9/h4-6H,1-3H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyFLZAXDJMHRTAGC-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.30
Rot. Bonds5

About 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 136784834) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID136784834
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCOc1c(NC(C(N)=O)C(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-5(2)6(8(11)15)14-9-7(17-3)10(16)13-4-12-9/h4-6H,1-3H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyFLZAXDJMHRTAGC-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(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

Related Compounds

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604662
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 114585142
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114585324
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671885
4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
5-methoxy-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734038
5-methoxy-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781015
4-[2-aminoethyl(cyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136827348
4-[(1-amino-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136848624
5-methoxy-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864281
4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136869164

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (CID 136784834) is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is COc1c(NC(C(N)=O)C(C)C)nc[nH]c1=O.
What is the InChIKey of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is FLZAXDJMHRTAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5(2)6(8(11)15)14-9-7(17-3)10(16)13-4-12-9/h4-6H,1-3H3,(H2,11,15)(H2,12,13,14,16).
What are the key properties of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 240.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 136784834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).