[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol

C13H15N3O — CID 82740703

IUPAC[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol
SMILESCCc1cccnc1-c1nc(C)cc(CO)n1
InChIInChI=1S/C13H15N3O/c1-3-10-5-4-6-14-12(10)13-15-9(2)7-11(8-17)16-13/h4-7,17H,3,8H2,1-2H3
InChIKeyHXKFVSRQIQLYPZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.90
Rot. Bonds3

About [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol

[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol (PubChem CID 82740703) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol
PubChem CID82740703
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol
SMILESCCc1cccnc1-c1nc(C)cc(CO)n1
InChIInChI=1S/C13H15N3O/c1-3-10-5-4-6-14-12(10)13-15-9(2)7-11(8-17)16-13/h4-7,17H,3,8H2,1-2H3
InChIKeyHXKFVSRQIQLYPZ-UHFFFAOYSA-N
XLogP1.90
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol (CID 82740703) is [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol is CCc1cccnc1-c1nc(C)cc(CO)n1.
What is the InChIKey of [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol?
The InChIKey is HXKFVSRQIQLYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-5-4-6-14-12(10)13-15-9(2)7-11(8-17)16-13/h4-7,17H,3,8H2,1-2H3.
What are the key properties of [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol?
[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 82740703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).