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

C16H24N2O2 — CID 136696365

IUPAC2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(C)C1CCC(c2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C16H24N2O2/c1-10(2)11-3-5-12(6-4-11)15-17-14-7-8-20-9-13(14)16(19)18-15/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyADWHAOSYBYSCAT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.77
Rot. Bonds2

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

2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696365) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696365
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(C)C1CCC(c2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C16H24N2O2/c1-10(2)11-3-5-12(6-4-11)15-17-14-7-8-20-9-13(14)16(19)18-15/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyADWHAOSYBYSCAT-UHFFFAOYSA-N
XLogP2.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696365) is 2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CC(C)C1CCC(c2nc3c(c(=O)[nH]2)COCC3)CC1.
What is the InChIKey of 2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is ADWHAOSYBYSCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)11-3-5-12(6-4-11)15-17-14-7-8-20-9-13(14)16(19)18-15/h10-12H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).