4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol

C11H18N2O — CID 58449988

IUPAC4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol
SMILESCc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(2)5-11(4,14)10-6-12-9(3)13-7-10/h6-8,14H,5H2,1-4H3
InChIKeyKXGFUSPCZIJWGN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.04
Rot. Bonds3

About 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol

4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol (PubChem CID 58449988) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol
PubChem CID58449988
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol
SMILESCc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(2)5-11(4,14)10-6-12-9(3)13-7-10/h6-8,14H,5H2,1-4H3
InChIKeyKXGFUSPCZIJWGN-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol?
The IUPAC name of 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol (CID 58449988) is 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol is Cc1ncc(C(C)(O)CC(C)C)cn1.
What is the InChIKey of 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol?
The InChIKey is KXGFUSPCZIJWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)5-11(4,14)10-6-12-9(3)13-7-10/h6-8,14H,5H2,1-4H3.
What are the key properties of 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol?
4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol is sourced from PubChem (CID 58449988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).