3-methyl-4-pyrimidin-2-ylbutan-2-ol

C9H14N2O — CID 79424538

IUPAC3-methyl-4-pyrimidin-2-ylbutan-2-ol
SMILESCC(O)C(C)Cc1ncccn1
InChIInChI=1S/C9H14N2O/c1-7(8(2)12)6-9-10-4-3-5-11-9/h3-5,7-8,12H,6H2,1-2H3
InChIKeyBMZGIMQUBQMXFN-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.04
Rot. Bonds3

About 3-methyl-4-pyrimidin-2-ylbutan-2-ol

3-methyl-4-pyrimidin-2-ylbutan-2-ol (PubChem CID 79424538) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-methyl-4-pyrimidin-2-ylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-4-pyrimidin-2-ylbutan-2-ol
PubChem CID79424538
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-methyl-4-pyrimidin-2-ylbutan-2-ol
SMILESCC(O)C(C)Cc1ncccn1
InChIInChI=1S/C9H14N2O/c1-7(8(2)12)6-9-10-4-3-5-11-9/h3-5,7-8,12H,6H2,1-2H3
InChIKeyBMZGIMQUBQMXFN-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-pyrimidin-2-ylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(2-methylpropyl)pyrimidine
CID 169144494
(2R)-1-pyrimidin-2-ylpropan-2-amine
CID 95028657
3-hydroxy-4-pyrimidin-2-ylbutan-2-one
CID 137472987
1-amino-3-pyrimidin-2-ylpropan-2-ol
CID 83442577
ethane;2-(2-methylbutyl)pyrimidine
CID 170603864
3-pyrimidin-2-ylpentan-2-ol
CID 63201326
(2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol
CID 135138395
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate
CID 171618148
N-methyl-1-pyrimidin-2-ylbutan-2-amine
CID 63201821
(1-phosphono-2-pyrimidin-2-ylethyl)phosphonic acid
CID 22365324
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pyrimidin-2-ylbutan-2-ol?
The IUPAC name of 3-methyl-4-pyrimidin-2-ylbutan-2-ol (CID 79424538) is 3-methyl-4-pyrimidin-2-ylbutan-2-ol.
What is the SMILES notation for 3-methyl-4-pyrimidin-2-ylbutan-2-ol?
The canonical SMILES for 3-methyl-4-pyrimidin-2-ylbutan-2-ol is CC(O)C(C)Cc1ncccn1.
What is the InChIKey of 3-methyl-4-pyrimidin-2-ylbutan-2-ol?
The InChIKey is BMZGIMQUBQMXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(8(2)12)6-9-10-4-3-5-11-9/h3-5,7-8,12H,6H2,1-2H3.
What are the key properties of 3-methyl-4-pyrimidin-2-ylbutan-2-ol?
3-methyl-4-pyrimidin-2-ylbutan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pyrimidin-2-ylbutan-2-ol is sourced from PubChem (CID 79424538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).