[2-(2-methylpropyl)pyrimidin-4-yl]methanol

C9H14N2O — CID 62747781

IUPAC[2-(2-methylpropyl)pyrimidin-4-yl]methanol
SMILESCC(C)Cc1nccc(CO)n1
InChIInChI=1S/C9H14N2O/c1-7(2)5-9-10-4-3-8(6-12)11-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyXBFQUVFQECJGJN-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.17
Rot. Bonds3

About [2-(2-methylpropyl)pyrimidin-4-yl]methanol

[2-(2-methylpropyl)pyrimidin-4-yl]methanol (PubChem CID 62747781) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [2-(2-methylpropyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methylpropyl)pyrimidin-4-yl]methanol
PubChem CID62747781
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[2-(2-methylpropyl)pyrimidin-4-yl]methanol
SMILESCC(C)Cc1nccc(CO)n1
InChIInChI=1S/C9H14N2O/c1-7(2)5-9-10-4-3-8(6-12)11-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyXBFQUVFQECJGJN-UHFFFAOYSA-N
XLogP1.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(2-methylpropyl)pyrimidin-4-yl]methanol (CID 62747781) is [2-(2-methylpropyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(2-methylpropyl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(2-methylpropyl)pyrimidin-4-yl]methanol is CC(C)Cc1nccc(CO)n1.
What is the InChIKey of [2-(2-methylpropyl)pyrimidin-4-yl]methanol?
The InChIKey is XBFQUVFQECJGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)5-9-10-4-3-8(6-12)11-9/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)pyrimidin-4-yl]methanol?
[2-(2-methylpropyl)pyrimidin-4-yl]methanol has a molecular weight of 166.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 62747781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).