5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one

C7H11N3O2 — CID 63553549

IUPAC5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(NC)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-3-4-5(11)9-7(8-2)10-6(4)12/h3H2,1-2H3,(H3,8,9,10,11,12)
InChIKeyBKNGJMMFTWBUML-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.08
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 63553549) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID63553549
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(NC)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-3-4-5(11)9-7(8-2)10-6(4)12/h3H2,1-2H3,(H3,8,9,10,11,12)
InChIKeyBKNGJMMFTWBUML-UHFFFAOYSA-N
XLogP0.08
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-hydroxy-2-(methylamino)-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 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one (CID 63553549) is 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one is CCc1c(O)nc(NC)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is BKNGJMMFTWBUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-4-5(11)9-7(8-2)10-6(4)12/h3H2,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 63553549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).