4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol

C15H24N2O — CID 55078560

IUPAC4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(c2cncnc2)CC1
InChIInChI=1S/C15H24N2O/c1-4-14(2,3)12-5-7-15(18,8-6-12)13-9-16-11-17-10-13/h9-12,18H,4-8H2,1-3H3
InChIKeyMTBOFIJCIUVIFJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol

4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol (PubChem CID 55078560) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol
PubChem CID55078560
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(c2cncnc2)CC1
InChIInChI=1S/C15H24N2O/c1-4-14(2,3)12-5-7-15(18,8-6-12)13-9-16-11-17-10-13/h9-12,18H,4-8H2,1-3H3
InChIKeyMTBOFIJCIUVIFJ-UHFFFAOYSA-N
XLogP3.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol (CID 55078560) is 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol is CCC(C)(C)C1CCC(O)(c2cncnc2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol?
The InChIKey is MTBOFIJCIUVIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-14(2,3)12-5-7-15(18,8-6-12)13-9-16-11-17-10-13/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol?
4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol is sourced from PubChem (CID 55078560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).