4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol

C13H22N2O — CID 63200751

IUPAC4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol
SMILESCC(C)c1cc(C(C(C)C)C(C)O)ncn1
InChIInChI=1S/C13H22N2O/c1-8(2)11-6-12(15-7-14-11)13(9(3)4)10(5)16/h6-10,13,16H,1-5H3
InChIKeyAZWMEHZTZQZHSL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.72
Rot. Bonds4

About 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol

4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol (PubChem CID 63200751) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol
PubChem CID63200751
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol
SMILESCC(C)c1cc(C(C(C)C)C(C)O)ncn1
InChIInChI=1S/C13H22N2O/c1-8(2)11-6-12(15-7-14-11)13(9(3)4)10(5)16/h6-10,13,16H,1-5H3
InChIKeyAZWMEHZTZQZHSL-UHFFFAOYSA-N
XLogP2.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol?
The IUPAC name of 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol (CID 63200751) is 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol is CC(C)c1cc(C(C(C)C)C(C)O)ncn1.
What is the InChIKey of 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol?
The InChIKey is AZWMEHZTZQZHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8(2)11-6-12(15-7-14-11)13(9(3)4)10(5)16/h6-10,13,16H,1-5H3.
What are the key properties of 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol?
4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol is sourced from PubChem (CID 63200751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).