5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 114206995

IUPAC5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(N)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C13H21N3O2/c1-3-18-13(6-4-5-9(2)7-13)12-15-8-10(14)11(17)16-12/h8-9H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyMNLRZKIOHJJCTN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds3

About 5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 114206995) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID114206995
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(N)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C13H21N3O2/c1-3-18-13(6-4-5-9(2)7-13)12-15-8-10(14)11(17)16-12/h8-9H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyMNLRZKIOHJJCTN-UHFFFAOYSA-N
XLogP1.79
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-3-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963823
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559580
5-(bromomethyl)-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205562
5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114207002
5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 114207018
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-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744925
2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744928
5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745479
5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745491
2-(1-ethoxy-3-methylcyclohexyl)-5-iodo-1H-pyrimidin-6-one
CID 116745495

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (CID 114206995) is 5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is CCOC1(c2ncc(N)c(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is MNLRZKIOHJJCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-13(6-4-5-9(2)7-13)12-15-8-10(14)11(17)16-12/h8-9H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.79, 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-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).