1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol

C13H18N4O — CID 66489548

IUPAC1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1cc(C)nc(-n2nc(C)c(C(C)O)c2C)n1
InChIInChI=1S/C13H18N4O/c1-7-6-8(2)15-13(14-7)17-10(4)12(11(5)18)9(3)16-17/h6,11,18H,1-5H3
InChIKeyMUPJZGHPFVGCFR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.95
Rot. Bonds2

About 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol

1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 66489548) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID66489548
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1cc(C)nc(-n2nc(C)c(C(C)O)c2C)n1
InChIInChI=1S/C13H18N4O/c1-7-6-8(2)15-13(14-7)17-10(4)12(11(5)18)9(3)16-17/h6,11,18H,1-5H3
InChIKeyMUPJZGHPFVGCFR-UHFFFAOYSA-N
XLogP1.95
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol (CID 66489548) is 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol is Cc1cc(C)nc(-n2nc(C)c(C(C)O)c2C)n1.
What is the InChIKey of 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is MUPJZGHPFVGCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-7-6-8(2)15-13(14-7)17-10(4)12(11(5)18)9(3)16-17/h6,11,18H,1-5H3.
What are the key properties of 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 66489548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).