5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one

C12H19N3O2 — CID 103240639

IUPAC5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCCC1CCCCC1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C12H19N3O2/c1-2-8-5-3-4-6-9(8)17-12-10(13)11(16)14-7-15-12/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyWRVFRIMEEDJPGH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.70
Rot. Bonds3

About 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one

5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240639) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240639
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCCC1CCCCC1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C12H19N3O2/c1-2-8-5-3-4-6-9(8)17-12-10(13)11(16)14-7-15-12/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyWRVFRIMEEDJPGH-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
5-amino-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240411
5-amino-4-heptoxy-1H-pyrimidin-6-one
CID 103240420
5-amino-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240460
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
5-amino-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240511
5-amino-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240629
4-(2-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103240644
4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240648
5-amino-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240651
4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240658
5-amino-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
CID 103240723

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240639) is 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one is CCC1CCCCC1Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is WRVFRIMEEDJPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-8-5-3-4-6-9(8)17-12-10(13)11(16)14-7-15-12/h7-9H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).