6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C18H20FN5 — CID 58964844

IUPAC6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)c(-c2c(C)nc3ncnn3c2N2CCCC2)c(F)c1
InChIInChI=1S/C18H20FN5/c1-11-8-12(2)15(14(19)9-11)16-13(3)22-18-20-10-21-24(18)17(16)23-6-4-5-7-23/h8-10H,4-7H2,1-3H3
InChIKeyFVOFOMSGFPLSFX-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.46
Rot. Bonds2

About 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 58964844) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID58964844
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)c(-c2c(C)nc3ncnn3c2N2CCCC2)c(F)c1
InChIInChI=1S/C18H20FN5/c1-11-8-12(2)15(14(19)9-11)16-13(3)22-18-20-10-21-24(18)17(16)23-6-4-5-7-23/h8-10H,4-7H2,1-3H3
InChIKeyFVOFOMSGFPLSFX-UHFFFAOYSA-N
XLogP3.46
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 58964844) is 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)c(-c2c(C)nc3ncnn3c2N2CCCC2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FVOFOMSGFPLSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-11-8-12(2)15(14(19)9-11)16-13(3)22-18-20-10-21-24(18)17(16)23-6-4-5-7-23/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 325.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58964844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).