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

C17H26N2O2 — CID 136696240

IUPAC2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(C)(C)C1CCC(c2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)12-6-4-11(5-7-12)15-18-14-8-9-21-10-13(14)16(20)19-15/h11-12H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyBZGOMLKAWJQNJB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.16
Rot. Bonds1

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

2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696240) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696240
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC(C)(C)C1CCC(c2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)12-6-4-11(5-7-12)15-18-14-8-9-21-10-13(14)16(20)19-15/h11-12H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyBZGOMLKAWJQNJB-UHFFFAOYSA-N
XLogP3.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-Cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696199
2-Cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696285
2-(3-Methylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696300
2-(4-Methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696302
2-(2-Bicyclo[2.2.1]heptanyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696320
2-(1-Methoxy-4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696325
2-[Cyclohexyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696326
2-Cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696332
2-(1-Adamantyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696339
2-(4-Propylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696346

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696240) is 2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CC(C)(C)C1CCC(c2nc3c(c(=O)[nH]2)COCC3)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is BZGOMLKAWJQNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)12-6-4-11(5-7-12)15-18-14-8-9-21-10-13(14)16(20)19-15/h11-12H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).