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

C16H24N2O3 — CID 136696150

IUPAC2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCCCCC1
InChIInChI=1S/C16H24N2O3/c1-2-21-16(8-5-3-4-6-9-16)15-17-13-7-10-20-11-12(13)14(19)18-15/h2-11H2,1H3,(H,17,18,19)
InChIKeyGEMMBYYHQVJSLE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.43
Rot. Bonds3

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

2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696150) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696150
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCCCCC1
InChIInChI=1S/C16H24N2O3/c1-2-21-16(8-5-3-4-6-9-16)15-17-13-7-10-20-11-12(13)14(19)18-15/h2-11H2,1H3,(H,17,18,19)
InChIKeyGEMMBYYHQVJSLE-UHFFFAOYSA-N
XLogP2.43
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696145
2-(3-Ethoxypentan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696147
2-(1-Ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696148
2-(1-Ethoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696179
2-(1-Ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180
2-(1-Methoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696181
2-(2-Methyloxolan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696250
2-(1-Methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696254
2-[Cyclohexyl(methoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696256
2-(3-Methoxypentan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696281
2-(1-Methoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696282
2-(1-Methoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696322

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696150) is 2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is GEMMBYYHQVJSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-21-16(8-5-3-4-6-9-16)15-17-13-7-10-20-11-12(13)14(19)18-15/h2-11H2,1H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 292.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).