2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one

C10H14N2O2 — CID 116705561

IUPAC2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1nccc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N2O2/c1-2-14-9(7-3-4-7)10-11-6-5-8(13)12-10/h5-7,9H,2-4H2,1H3,(H,11,12,13)
InChIKeyJRYQKRHABDJYAJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.26
Rot. Bonds4

About 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one

2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116705561) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116705561
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1nccc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N2O2/c1-2-14-9(7-3-4-7)10-11-6-5-8(13)12-10/h5-7,9H,2-4H2,1H3,(H,11,12,13)
InChIKeyJRYQKRHABDJYAJ-UHFFFAOYSA-N
XLogP1.26
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl(ethoxy)methyl]-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

2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 20689207
2-(Oxolan-2-yl)pyrimidin-4-ol
CID 65331461
2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 140930143
2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
CID 10855682
2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 64540254
2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80167116
2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82837620
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254
2-[cyclopropyl(methoxy)methyl]-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206278
2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705562
2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 116705563
2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 116705564

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one (CID 116705561) is 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one is CCOC(c1nccc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is JRYQKRHABDJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-9(7-3-4-7)10-11-6-5-8(13)12-10/h5-7,9H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116705561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).