1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol

C10H16N2O2 — CID 58291738

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol
SMILESCc1cc(C(O)C(C)CO)nc(C)n1
InChIInChI=1S/C10H16N2O2/c1-6(5-13)10(14)9-4-7(2)11-8(3)12-9/h4,6,10,13-14H,5H2,1-3H3
InChIKeyZJZUBYUHVJWEHJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.76
Rot. Bonds3

About 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol

1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol (PubChem CID 58291738) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol
PubChem CID58291738
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol
SMILESCc1cc(C(O)C(C)CO)nc(C)n1
InChIInChI=1S/C10H16N2O2/c1-6(5-13)10(14)9-4-7(2)11-8(3)12-9/h4,6,10,13-14H,5H2,1-3H3
InChIKeyZJZUBYUHVJWEHJ-UHFFFAOYSA-N
XLogP0.76
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol
CID 63205554
3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 66103304
2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one
CID 63549994
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 66105522
2-methyl-1-(4-propan-2-ylphenyl)propane-1,3-diol
CID 91250874
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol
CID 171872037
3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine
CID 55162966
4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol
CID 102262776
2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 60725889
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103819994

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol (CID 58291738) is 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol is Cc1cc(C(O)C(C)CO)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol?
The InChIKey is ZJZUBYUHVJWEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(5-13)10(14)9-4-7(2)11-8(3)12-9/h4,6,10,13-14H,5H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol?
1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol has a molecular weight of 196.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 58291738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).