1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol

C9H14N2O — CID 63201319

IUPAC1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol
SMILESCc1cc(C)nc(CC(C)O)n1
InChIInChI=1S/C9H14N2O/c1-6-4-7(2)11-9(10-6)5-8(3)12/h4,8,12H,5H2,1-3H3
InChIKeyBFLSYLSMYKBDMG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.02
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol

1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol (PubChem CID 63201319) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol
PubChem CID63201319
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol
SMILESCc1cc(C)nc(CC(C)O)n1
InChIInChI=1S/C9H14N2O/c1-6-4-7(2)11-9(10-6)5-8(3)12/h4,8,12H,5H2,1-3H3
InChIKeyBFLSYLSMYKBDMG-UHFFFAOYSA-N
XLogP1.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,6-Dimethyl-2-pyrimidinyl)amino]-ethanol
CID 1646801
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethanol
CID 587836
Butan-2-one O-(4,6-dimethyl-pyrimidin-2-yl)-oxime
CID 5421395
2-Ethynyl-4,6-dimethylpyrimidine
CID 13081754
2,4,6-Trimethylpyrimidine
CID 817251
2-Methoxy-4,6-dimethylpyrimidine
CID 11428264
(4,6-Dimethylpyrimidin-2-yl)methanol
CID 12376136
2,6-Dimethyl-4-pyrimidinemethanol
CID 12682959
1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-ol
CID 40145619
2-(4,6-Dimethylpyrimidin-2-yl)acetic acid
CID 19778895
3-[(4,6-Dimethylpyrimidin-2-yl)amino]propan-1-ol
CID 1646802
4,6-Dimethylpyrimidine-2-carbonitrile
CID 870742

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol (CID 63201319) is 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol is Cc1cc(C)nc(CC(C)O)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol?
The InChIKey is BFLSYLSMYKBDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-4-7(2)11-9(10-6)5-8(3)12/h4,8,12H,5H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol?
1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol is sourced from PubChem (CID 63201319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).