7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C20H21FN6O2 — CID 44571407

IUPAC7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOCCN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1
InChIInChI=1S/C20H21FN6O2/c1-28-12-10-26(9-8-14-4-6-15(21)7-5-14)17-13-18-23-19(16-3-2-11-29-16)25-27(18)20(22)24-17/h2-7,11,13H,8-10,12H2,1H3,(H2,22,24)
InChIKeyDRSVRQWWPXZVHQ-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.80
Rot. Bonds8

About 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 44571407) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID44571407
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOCCN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1
InChIInChI=1S/C20H21FN6O2/c1-28-12-10-26(9-8-14-4-6-15(21)7-5-14)17-13-18-23-19(16-3-2-11-29-16)25-27(18)20(22)24-17/h2-7,11,13H,8-10,12H2,1H3,(H2,22,24)
InChIKeyDRSVRQWWPXZVHQ-UHFFFAOYSA-N
XLogP2.80
TPSA94.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 44571407) is 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is COCCN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1.
What is the InChIKey of 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is DRSVRQWWPXZVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-28-12-10-26(9-8-14-4-6-15(21)7-5-14)17-13-18-23-19(16-3-2-11-29-16)25-27(18)20(22)24-17/h2-7,11,13H,8-10,12H2,1H3,(H2,22,24).
What are the key properties of 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 396.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 44571407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).