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

C13H18N2O3 — CID 136696254

IUPAC2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCCC1
InChIInChI=1S/C13H18N2O3/c1-17-13(5-2-3-6-13)12-14-10-4-7-18-8-9(10)11(16)15-12/h2-8H2,1H3,(H,14,15,16)
InChIKeyIVCVQUDDHRGDFJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.26
Rot. Bonds2

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

2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696254) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696254
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCCC1
InChIInChI=1S/C13H18N2O3/c1-17-13(5-2-3-6-13)12-14-10-4-7-18-8-9(10)11(16)15-12/h2-8H2,1H3,(H,14,15,16)
InChIKeyIVCVQUDDHRGDFJ-UHFFFAOYSA-N
XLogP1.26
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.26
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-[Cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696146
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-(4-Methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696149
2-(1-Ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696150
2-[Cyclopropyl(methoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696177
2-(2-Ethoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696178
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-Methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696195

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696254) is 2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is COC1(c2nc3c(c(=O)[nH]2)COCC3)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is IVCVQUDDHRGDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-13(5-2-3-6-13)12-14-10-4-7-18-8-9(10)11(16)15-12/h2-8H2,1H3,(H,14,15,16).
What are the key properties of 2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 250.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).