4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol

C11H18N2O — CID 63200606

IUPAC4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
SMILESCc1nccc(C(C(C)C)C(C)O)n1
InChIInChI=1S/C11H18N2O/c1-7(2)11(8(3)14)10-5-6-12-9(4)13-10/h5-8,11,14H,1-4H3
InChIKeyPRMJQFOREGBJPT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.91
Rot. Bonds3

About 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol

4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol (PubChem CID 63200606) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
PubChem CID63200606
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
SMILESCc1nccc(C(C(C)C)C(C)O)n1
InChIInChI=1S/C11H18N2O/c1-7(2)11(8(3)14)10-5-6-12-9(4)13-10/h5-8,11,14H,1-4H3
InChIKeyPRMJQFOREGBJPT-UHFFFAOYSA-N
XLogP1.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol?
The IUPAC name of 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol (CID 63200606) is 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol is Cc1nccc(C(C(C)C)C(C)O)n1.
What is the InChIKey of 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol?
The InChIKey is PRMJQFOREGBJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)11(8(3)14)10-5-6-12-9(4)13-10/h5-8,11,14H,1-4H3.
What are the key properties of 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol?
4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol is sourced from PubChem (CID 63200606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).