4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine

C17H10F3N5O — CID 167530542

IUPAC4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(-n2cc(-c3ccccc3)nn2)n1
InChIInChI=1S/C17H10F3N5O/c18-17(19,20)15-9-12(14-7-4-8-26-14)21-16(22-15)25-10-13(23-24-25)11-5-2-1-3-6-11/h1-10H
InChIKeyWNPMCLXZTIVVSL-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.00
Rot. Bonds3

About 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine

4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 167530542) has the molecular formula C17H10F3N5O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID167530542
Molecular FormulaC17H10F3N5O
Molecular Weight357.30 g/mol
Exact Mass357.08
IUPAC Name4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(-n2cc(-c3ccccc3)nn2)n1
InChIInChI=1S/C17H10F3N5O/c18-17(19,20)15-9-12(14-7-4-8-26-14)21-16(22-15)25-10-13(23-24-25)11-5-2-1-3-6-11/h1-10H
InChIKeyWNPMCLXZTIVVSL-UHFFFAOYSA-N
XLogP4.00
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(furan-2-yl)-2-(3-nitropyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 4074995
1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole
CID 3241637
2-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine chloride
CID 53346658
2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
CID 19583785
4-(furan-2-yl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586286
(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40653702
2-(4-nitroimidazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 3273711
(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40600389
2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
CID 19586547
3-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid
CID 130288780
4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine
CID 46900690
7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82270027

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine (CID 167530542) is 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccco2)nc(-n2cc(-c3ccccc3)nn2)n1.
What is the InChIKey of 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is WNPMCLXZTIVVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O/c18-17(19,20)15-9-12(14-7-4-8-26-14)21-16(22-15)25-10-13(23-24-25)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine?
4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 357.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167530542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).