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

C13H18N2O2 — CID 136696285

IUPAC2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2c1COCC2
InChIInChI=1S/C13H18N2O2/c16-13-10-8-17-7-6-11(10)14-12(15-13)9-4-2-1-3-5-9/h9H,1-8H2,(H,14,15,16)
InChIKeyGJPIFKQQIGPRDD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.89
Rot. Bonds1

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

2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696285) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696285
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2c1COCC2
InChIInChI=1S/C13H18N2O2/c16-13-10-8-17-7-6-11(10)14-12(15-13)9-4-2-1-3-5-9/h9H,1-8H2,(H,14,15,16)
InChIKeyGJPIFKQQIGPRDD-UHFFFAOYSA-N
XLogP1.89
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.89
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-(4-Methoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 149489962
2-(3-Cyclopropylpropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 161304462
2-(Pyrrolidin-3-ylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671946
2-Piperidin-4-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671948
2-Piperidin-3-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671949
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-(1-Ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696148
2-Propyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696154

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696285) is 2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CCCCC2)nc2c1COCC2.
What is the InChIKey of 2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is GJPIFKQQIGPRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13-10-8-17-7-6-11(10)14-12(15-13)9-4-2-1-3-5-9/h9H,1-8H2,(H,14,15,16).
What are the key properties of 2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).