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

C19H15FN2O — CID 174614512

IUPAC2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2F)nc(C2CC2)n1
InChIInChI=1S/C19H15FN2O/c20-15-7-3-1-5-13(15)16-11-17(14-6-2-4-8-18(14)23)22-19(21-16)12-9-10-12/h1-8,11-12,23H,9-10H2
InChIKeyWOVAROLAKHTRGS-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.53
Rot. Bonds3

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

2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol (PubChem CID 174614512) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
PubChem CID174614512
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2F)nc(C2CC2)n1
InChIInChI=1S/C19H15FN2O/c20-15-7-3-1-5-13(15)16-11-17(14-6-2-4-8-18(14)23)22-19(21-16)12-9-10-12/h1-8,11-12,23H,9-10H2
InChIKeyWOVAROLAKHTRGS-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol (CID 174614512) is 2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol is Oc1ccccc1-c1cc(-c2ccccc2F)nc(C2CC2)n1.
What is the InChIKey of 2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol?
The InChIKey is WOVAROLAKHTRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-15-7-3-1-5-13(15)16-11-17(14-6-2-4-8-18(14)23)22-19(21-16)12-9-10-12/h1-8,11-12,23H,9-10H2.
What are the key properties of 2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol?
2-[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 2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 174614512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).