6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

C21H21F2N7O — CID 69309423

IUPAC6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1nc2nc(-c3ccco3)nn2c(N)c1C(Cc1cc(F)ccc1F)C1CCCN1
InChIInChI=1S/C21H21F2N7O/c22-12-5-6-14(23)11(9-12)10-13(15-3-1-7-26-15)17-18(24)27-21-28-20(16-4-2-8-31-16)29-30(21)19(17)25/h2,4-6,8-9,13,15,26H,1,3,7,10,25H2,(H2,24,27,28,29)
InChIKeyRRCYNTHGLKMWSE-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.91
Rot. Bonds5

About 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 69309423) has the molecular formula C21H21F2N7O and a molecular weight of 425.44 g/mol. Its IUPAC name is 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID69309423
Molecular FormulaC21H21F2N7O
Molecular Weight425.44 g/mol
Exact Mass425.18
IUPAC Name6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1nc2nc(-c3ccco3)nn2c(N)c1C(Cc1cc(F)ccc1F)C1CCCN1
InChIInChI=1S/C21H21F2N7O/c22-12-5-6-14(23)11(9-12)10-13(15-3-1-7-26-15)17-18(24)27-21-28-20(16-4-2-8-31-16)29-30(21)19(17)25/h2,4-6,8-9,13,15,26H,1,3,7,10,25H2,(H2,24,27,28,29)
InChIKeyRRCYNTHGLKMWSE-UHFFFAOYSA-N
XLogP2.91
TPSA120.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-5-N-methyl-5-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-pyrrolidin-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312190
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
2-(furan-2-yl)-5-[4-[(2,4,6-trifluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;hydrochloride
CID 11408706
6-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69310906
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245
2-(furan-2-yl)-5-[4-[(2,3,6-trifluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11774744
5-N-[[(2R)-1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 11475832
5-[7-[(3-fluorophenoxy)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11248271
6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312242
5-N-benzyl-2-(furan-2-yl)-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 10135804
2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
CID 83911133
5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 68684893

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (CID 69309423) is 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is Nc1nc2nc(-c3ccco3)nn2c(N)c1C(Cc1cc(F)ccc1F)C1CCCN1.
What is the InChIKey of 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is RRCYNTHGLKMWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O/c22-12-5-6-14(23)11(9-12)10-13(15-3-1-7-26-15)17-18(24)27-21-28-20(16-4-2-8-31-16)29-30(21)19(17)25/h2,4-6,8-9,13,15,26H,1,3,7,10,25H2,(H2,24,27,28,29).
What are the key properties of 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 425.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 69309423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).