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

C14H20N2O2 — CID 136982267

IUPAC2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCCCC2)nc2c1COCC2
InChIInChI=1S/C14H20N2O2/c17-14-11-9-18-8-7-12(11)15-13(16-14)10-5-3-1-2-4-6-10/h10H,1-9H2,(H,15,16,17)
InChIKeyDATRKSFIPHTBKS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.28
Rot. Bonds1

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

2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136982267) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136982267
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCCCC2)nc2c1COCC2
InChIInChI=1S/C14H20N2O2/c17-14-11-9-18-8-7-12(11)15-13(16-14)10-5-3-1-2-4-6-10/h10H,1-9H2,(H,15,16,17)
InChIKeyDATRKSFIPHTBKS-UHFFFAOYSA-N
XLogP2.28
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.28
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-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696144
2-(1-Methoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696181
2-Cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696199
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

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136982267) is 2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CCCCCC2)nc2c1COCC2.
What is the InChIKey of 2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is DATRKSFIPHTBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14-11-9-18-8-7-12(11)15-13(16-14)10-5-3-1-2-4-6-10/h10H,1-9H2,(H,15,16,17).
What are the key properties of 2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136982267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).