2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol

C21H18FN3O — CID 135506179

IUPAC2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
SMILESOc1ccccc1C1=NC(c2ccc(F)cc2)NC(c2cccnc2)C1
InChIInChI=1S/C21H18FN3O/c22-16-9-7-14(8-10-16)21-24-18(15-4-3-11-23-13-15)12-19(25-21)17-5-1-2-6-20(17)26/h1-11,13,18,21,24,26H,12H2
InChIKeyVAMQWRKAMNDGGA-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.15
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol

2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol (PubChem CID 135506179) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
PubChem CID135506179
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
SMILESOc1ccccc1C1=NC(c2ccc(F)cc2)NC(c2cccnc2)C1
InChIInChI=1S/C21H18FN3O/c22-16-9-7-14(8-10-16)21-24-18(15-4-3-11-23-13-15)12-19(25-21)17-5-1-2-6-20(17)26/h1-11,13,18,21,24,26H,12H2
InChIKeyVAMQWRKAMNDGGA-UHFFFAOYSA-N
XLogP4.15
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol (CID 135506179) is 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol is Oc1ccccc1C1=NC(c2ccc(F)cc2)NC(c2cccnc2)C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol?
The InChIKey is VAMQWRKAMNDGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-16-9-7-14(8-10-16)21-24-18(15-4-3-11-23-13-15)12-19(25-21)17-5-1-2-6-20(17)26/h1-11,13,18,21,24,26H,12H2.
What are the key properties of 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol?
2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol has a molecular weight of 347.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol is sourced from PubChem (CID 135506179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).