4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol

C19H15FN2O — CID 174614511

IUPAC4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccccc3F)nc(C3CC3)n2)cc1
InChIInChI=1S/C19H15FN2O/c20-16-4-2-1-3-15(16)18-11-17(12-7-9-14(23)10-8-12)21-19(22-18)13-5-6-13/h1-4,7-11,13,23H,5-6H2
InChIKeyOKTXXJOTOSXTTR-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.53
Rot. Bonds3

About 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol

4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol (PubChem CID 174614511) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
PubChem CID174614511
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccccc3F)nc(C3CC3)n2)cc1
InChIInChI=1S/C19H15FN2O/c20-16-4-2-1-3-15(16)18-11-17(12-7-9-14(23)10-8-12)21-19(22-18)13-5-6-13/h1-4,7-11,13,23H,5-6H2
InChIKeyOKTXXJOTOSXTTR-UHFFFAOYSA-N
XLogP4.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
CID 174614512
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine
CID 14551214
2-(2-fluorophenyl)-4-(2-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-8-ol
CID 155563311
4-(2,6-diphenyl-4-pyridinyl)phenol
CID 4640455
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
3-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 28942301
2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502731
4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
CID 112554811
4-[4-(4-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 137175160
1,4-bis(2-fluorophenyl)benzene
CID 58121760
2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99962735

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol (CID 174614511) is 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol is Oc1ccc(-c2cc(-c3ccccc3F)nc(C3CC3)n2)cc1.
What is the InChIKey of 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol?
The InChIKey is OKTXXJOTOSXTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-16-4-2-1-3-15(16)18-11-17(12-7-9-14(23)10-8-12)21-19(22-18)13-5-6-13/h1-4,7-11,13,23H,5-6H2.
What are the key properties of 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol?
4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol has a molecular weight of 306.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 174614511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).