4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 136730161

IUPAC4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C10H15N3O2/c11-8-6-10(14)13-9(12-8)5-7-3-1-2-4-15-7/h6-7H,1-5H2,(H3,11,12,13,14)
InChIKeyCNGVFFBBFDJJNI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.46
Rot. Bonds2

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

4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136730161) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136730161
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C10H15N3O2/c11-8-6-10(14)13-9(12-8)5-7-3-1-2-4-15-7/h6-7H,1-5H2,(H3,11,12,13,14)
InChIKeyCNGVFFBBFDJJNI-UHFFFAOYSA-N
XLogP0.46
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(oxan-2-ylmethyl)-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

Related Compounds

5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730197
2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 43654587
4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63612257
2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249108
4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249125
4-hydroxy-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249127
5-bromo-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249140
4-hydroxy-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249142
5-bromo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249169
5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249171
4-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-1H-pyrimidin-6-one
CID 113792812
4-amino-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136066218

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136730161) is 4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is CNGVFFBBFDJJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-8-6-10(14)13-9(12-8)5-7-3-1-2-4-15-7/h6-7H,1-5H2,(H3,11,12,13,14).
What are the key properties of 4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).