5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine

C19H14FN5 — CID 155527350

IUPAC5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine
SMILESFc1ccccc1-c1cn(Cc2ccc(-c3cncnc3)cc2)nn1
InChIInChI=1S/C19H14FN5/c20-18-4-2-1-3-17(18)19-12-25(24-23-19)11-14-5-7-15(8-6-14)16-9-21-13-22-10-16/h1-10,12-13H,11H2
InChIKeyMXEHLGSSZLWMBO-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.59
Rot. Bonds4

About 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine

5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine (PubChem CID 155527350) has the molecular formula C19H14FN5 and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine
PubChem CID155527350
Molecular FormulaC19H14FN5
Molecular Weight331.35 g/mol
Exact Mass331.12
IUPAC Name5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine
SMILESFc1ccccc1-c1cn(Cc2ccc(-c3cncnc3)cc2)nn1
InChIInChI=1S/C19H14FN5/c20-18-4-2-1-3-17(18)19-12-25(24-23-19)11-14-5-7-15(8-6-14)16-9-21-13-22-10-16/h1-10,12-13H,11H2
InChIKeyMXEHLGSSZLWMBO-UHFFFAOYSA-N
XLogP3.59
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tegobuvir
CID 23649154
SB-220025
CID 5164
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
ML323
CID 60167849
PF-670462
CID 51049607
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
VK-19911
CID 9797240
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
SB-216995
CID 5171
5-(3-(Difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1H-imidazol-1-yl)methyl)pyridazine
CID 22240172
4-(4-Phenylphenyl)pyrimidine
CID 817541
4-phenyl-N~1~-[(1E)-phenylmethylene]-1H-imidazole-1,2-diamine
CID 6858937

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine?
The IUPAC name of 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine (CID 155527350) is 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine?
The canonical SMILES for 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine is Fc1ccccc1-c1cn(Cc2ccc(-c3cncnc3)cc2)nn1.
What is the InChIKey of 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine?
The InChIKey is MXEHLGSSZLWMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5/c20-18-4-2-1-3-17(18)19-12-25(24-23-19)11-14-5-7-15(8-6-14)16-9-21-13-22-10-16/h1-10,12-13H,11H2.
What are the key properties of 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine?
5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine has a molecular weight of 331.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyrimidine is sourced from PubChem (CID 155527350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).