2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

C13H21N3O — CID 135962935

IUPAC2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(C2(N)CCCCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-3-10-9(2)15-12(16-11(10)17)13(14)7-5-4-6-8-13/h3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyQEYQDVHTDBDIHH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.76
Rot. Bonds2

About 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135962935) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135962935
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(C2(N)CCCCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-3-10-9(2)15-12(16-11(10)17)13(14)7-5-4-6-8-13/h3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyQEYQDVHTDBDIHH-UHFFFAOYSA-N
XLogP1.76
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135962935) is 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(C2(N)CCCCC2)[nH]c1=O.
What is the InChIKey of 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QEYQDVHTDBDIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10-9(2)15-12(16-11(10)17)13(14)7-5-4-6-8-13/h3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135962935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).