4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H19N3O3 — CID 136976075

IUPAC4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(O)(CC)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-4-11(16,5-2)6-12-9-8(17-3)10(15)14-7-13-9/h7,16H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyYINLJDCXOFNJFE-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds6

About 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136976075) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136976075
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(O)(CC)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-4-11(16,5-2)6-12-9-8(17-3)10(15)14-7-13-9/h7,16H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyYINLJDCXOFNJFE-UHFFFAOYSA-N
XLogP0.74
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one 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 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136976075) is 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCC(O)(CC)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is YINLJDCXOFNJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-11(16,5-2)6-12-9-8(17-3)10(15)14-7-13-9/h7,16H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-2-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136976075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).