2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine

C21H25FN6 — CID 171851204

IUPAC2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(NC2N=C(N)N=C(N3CCCC3)N2c2cccc(F)c2)cc1
InChIInChI=1S/C21H25FN6/c1-2-15-8-10-17(11-9-15)24-20-25-19(23)26-21(27-12-3-4-13-27)28(20)18-7-5-6-16(22)14-18/h5-11,14,20,24H,2-4,12-13H2,1H3,(H2,23,25)
InChIKeyJTARJUODYFBVLR-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.37
Rot. Bonds4

About 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine

2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851204) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851204
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(NC2N=C(N)N=C(N3CCCC3)N2c2cccc(F)c2)cc1
InChIInChI=1S/C21H25FN6/c1-2-15-8-10-17(11-9-15)24-20-25-19(23)26-21(27-12-3-4-13-27)28(20)18-7-5-6-16(22)14-18/h5-11,14,20,24H,2-4,12-13H2,1H3,(H2,23,25)
InChIKeyJTARJUODYFBVLR-UHFFFAOYSA-N
XLogP3.37
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851204) is 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is CCc1ccc(NC2N=C(N)N=C(N3CCCC3)N2c2cccc(F)c2)cc1.
What is the InChIKey of 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is JTARJUODYFBVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c1-2-15-8-10-17(11-9-15)24-20-25-19(23)26-21(27-12-3-4-13-27)28(20)18-7-5-6-16(22)14-18/h5-11,14,20,24H,2-4,12-13H2,1H3,(H2,23,25).
What are the key properties of 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 380.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).