3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol

C10H16N2O — CID 63205554

IUPAC3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol
SMILESCc1cc(C(C)C(C)O)nc(C)n1
InChIInChI=1S/C10H16N2O/c1-6-5-10(7(2)8(3)13)12-9(4)11-6/h5,7-8,13H,1-4H3
InChIKeyZUVCCRJXSLAEBP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.58
Rot. Bonds2

About 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol

3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol (PubChem CID 63205554) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol
PubChem CID63205554
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol
SMILESCc1cc(C(C)C(C)O)nc(C)n1
InChIInChI=1S/C10H16N2O/c1-6-5-10(7(2)8(3)13)12-9(4)11-6/h5,7-8,13H,1-4H3
InChIKeyZUVCCRJXSLAEBP-UHFFFAOYSA-N
XLogP1.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
CID 66331506
1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol
CID 58291738
2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one
CID 63549994
(2R,5R)-5-cyclopropyl-2-(2,6-dimethylpyrimidin-4-yl)-3-oxohexanenitrile
CID 95236144
3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine
CID 55162966
3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 66103304
4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol
CID 102262776
2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887
(2,6-dimethyl-4-pyridinyl)methanediol
CID 146515076
1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol
CID 63201319
N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide
CID 112690921
3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273533

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol?
The IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol (CID 63205554) is 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol.
What is the SMILES notation for 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol?
The canonical SMILES for 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol is Cc1cc(C(C)C(C)O)nc(C)n1.
What is the InChIKey of 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol?
The InChIKey is ZUVCCRJXSLAEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-5-10(7(2)8(3)13)12-9(4)11-6/h5,7-8,13H,1-4H3.
What are the key properties of 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol?
3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol is sourced from PubChem (CID 63205554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).