5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114207018

IUPAC5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(N)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-17-12(6-4-3-5-7-12)11-14-8-9(13)10(16)15-11/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyPJLOJIXTPZDBSP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds3

About 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one

5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one (PubChem CID 114207018) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
PubChem CID114207018
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(N)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-17-12(6-4-3-5-7-12)11-14-8-9(13)10(16)15-11/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyPJLOJIXTPZDBSP-UHFFFAOYSA-N
XLogP1.55
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-(1-ethoxycyclohexyl)-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-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-(1-ethoxycyclohexyl)-5-iodo-1H-pyrimidin-6-one
CID 113559579
2-(1-ethoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563473
5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114206995
5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114207002
5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 114207008
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114207019
2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744914
2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744916
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917
2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744925
2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744927

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one (CID 114207018) is 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one is CCOC1(c2ncc(N)c(=O)[nH]2)CCCCC1.
What is the InChIKey of 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is PJLOJIXTPZDBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-12(6-4-3-5-7-12)11-14-8-9(13)10(16)15-11/h8H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114207018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).