2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C15H22N2O2 — CID 136696199

IUPAC2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCCCCC2)nc2c1COCC2
InChIInChI=1S/C15H22N2O2/c18-15-12-10-19-9-8-13(12)16-14(17-15)11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H,16,17,18)
InChIKeyRTBZWWSKCBIUMT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.67
Rot. Bonds1

About 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696199) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696199
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCCCCC2)nc2c1COCC2
InChIInChI=1S/C15H22N2O2/c18-15-12-10-19-9-8-13(12)16-14(17-15)11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H,16,17,18)
InChIKeyRTBZWWSKCBIUMT-UHFFFAOYSA-N
XLogP2.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluorocyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 137010989
2-[(Cyclopentylmethylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136630000
2-Butan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696218
2-(3-Cyclopropylpropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 161304462
2-(4-Ethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696135
2-(Cyclopropylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696140
2-(4-Tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696240
2-(2-Methylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696241
2-Butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696247
2-Cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696285
2-(2-Methylpropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696286
2-(3-Methylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696300

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696199) is 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CCCCCCC2)nc2c1COCC2.
What is the InChIKey of 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is RTBZWWSKCBIUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15-12-10-19-9-8-13(12)16-14(17-15)11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H,16,17,18).
What are the key properties of 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 262.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).