2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol

C14H17N3O — CID 116896390

IUPAC2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol
SMILESCCC(CO)c1nc(C)cc(-c2ccncc2)n1
InChIInChI=1S/C14H17N3O/c1-3-11(9-18)14-16-10(2)8-13(17-14)12-4-6-15-7-5-12/h4-8,11,18H,3,9H2,1-2H3
InChIKeyLYUTVXLQFSWBIF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol

2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol (PubChem CID 116896390) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol
PubChem CID116896390
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol
SMILESCCC(CO)c1nc(C)cc(-c2ccncc2)n1
InChIInChI=1S/C14H17N3O/c1-3-11(9-18)14-16-10(2)8-13(17-14)12-4-6-15-7-5-12/h4-8,11,18H,3,9H2,1-2H3
InChIKeyLYUTVXLQFSWBIF-UHFFFAOYSA-N
XLogP2.33
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol?
The IUPAC name of 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol (CID 116896390) is 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol.
What is the SMILES notation for 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol?
The canonical SMILES for 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol is CCC(CO)c1nc(C)cc(-c2ccncc2)n1.
What is the InChIKey of 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol?
The InChIKey is LYUTVXLQFSWBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-11(9-18)14-16-10(2)8-13(17-14)12-4-6-15-7-5-12/h4-8,11,18H,3,9H2,1-2H3.
What are the key properties of 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol?
2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol is sourced from PubChem (CID 116896390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).