2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C15H22N2O3 — CID 136696148

IUPAC2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCCCC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(7-4-3-5-8-15)14-16-12-6-9-19-10-11(12)13(18)17-14/h2-10H2,1H3,(H,16,17,18)
InChIKeyMOBGCWFHWHWCQJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds3

About 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696148) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696148
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCCCC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(7-4-3-5-8-15)14-16-12-6-9-19-10-11(12)13(18)17-14/h2-10H2,1H3,(H,16,17,18)
InChIKeyMOBGCWFHWHWCQJ-UHFFFAOYSA-N
XLogP2.04
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696148) is 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is MOBGCWFHWHWCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-15(7-4-3-5-8-15)14-16-12-6-9-19-10-11(12)13(18)17-14/h2-10H2,1H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 278.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).