2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine

C18H11F3N6 — CID 2825799

IUPAC2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(-c2ccccc2)ncc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C18H11F3N6/c19-18(20,21)15-14(11-22-16(23-15)12-7-3-1-4-8-12)17-24-25-26-27(17)13-9-5-2-6-10-13/h1-11H
InChIKeyFHRBTWWEUOKYKE-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.81
Rot. Bonds3

About 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine

2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 2825799) has the molecular formula C18H11F3N6 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID2825799
Molecular FormulaC18H11F3N6
Molecular Weight368.32 g/mol
Exact Mass368.10
IUPAC Name2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(-c2ccccc2)ncc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C18H11F3N6/c19-18(20,21)15-14(11-22-16(23-15)12-7-3-1-4-8-12)17-24-25-26-27(17)13-9-5-2-6-10-13/h1-11H
InChIKeyFHRBTWWEUOKYKE-UHFFFAOYSA-N
XLogP3.81
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine (CID 2825799) is 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(-c2ccccc2)ncc1-c1nnnn1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is FHRBTWWEUOKYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N6/c19-18(20,21)15-14(11-22-16(23-15)12-7-3-1-4-8-12)17-24-25-26-27(17)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine?
2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 368.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(1-phenyltetrazol-5-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 2825799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).