1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol

C14H15FN2O — CID 20663049

IUPAC1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol
SMILESCc1ccc(-c2ncc(CC(C)O)cn2)cc1F
InChIInChI=1S/C14H15FN2O/c1-9-3-4-12(6-13(9)15)14-16-7-11(8-17-14)5-10(2)18/h3-4,6-8,10,18H,5H2,1-2H3
InChIKeyLQDPSIANYASJQJ-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.51
Rot. Bonds3

About 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol

1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol (PubChem CID 20663049) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol
PubChem CID20663049
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol
SMILESCc1ccc(-c2ncc(CC(C)O)cn2)cc1F
InChIInChI=1S/C14H15FN2O/c1-9-3-4-12(6-13(9)15)14-16-7-11(8-17-14)5-10(2)18/h3-4,6-8,10,18H,5H2,1-2H3
InChIKeyLQDPSIANYASJQJ-UHFFFAOYSA-N
XLogP2.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine
CID 62757182
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345348
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]propan-2-amine
CID 82803660
1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62653769
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107129475
2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine
CID 66303715
5-chloro-2-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
CID 106511978
3-(3-fluoro-4-methylphenyl)-1,2,4,5-tetrazine
CID 146637293
(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587725
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
CID 20708826
2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 23179827

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol (CID 20663049) is 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol is Cc1ccc(-c2ncc(CC(C)O)cn2)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol?
The InChIKey is LQDPSIANYASJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-3-4-12(6-13(9)15)14-16-7-11(8-17-14)5-10(2)18/h3-4,6-8,10,18H,5H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol?
1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol has a molecular weight of 246.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 20663049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).