4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one

C10H17N3O2 — CID 114586477

IUPAC4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-3-10(11,4-2)6-15-9-5-8(14)12-7-13-9/h5,7H,3-4,6,11H2,1-2H3,(H,12,13,14)
InChIKeyQHLOQGLIYNZMNC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.67
Rot. Bonds5

About 4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one

4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one (PubChem CID 114586477) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one
PubChem CID114586477
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-3-10(11,4-2)6-15-9-5-8(14)12-7-13-9/h5,7H,3-4,6,11H2,1-2H3,(H,12,13,14)
InChIKeyQHLOQGLIYNZMNC-UHFFFAOYSA-N
XLogP0.67
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-2-ethylbutoxy)-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-amino-2-ethylbutoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one (CID 114586477) is 4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one is CCC(N)(CC)COc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one?
The InChIKey is QHLOQGLIYNZMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-10(11,4-2)6-15-9-5-8(14)12-7-13-9/h5,7H,3-4,6,11H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one?
4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).