4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C18H21F3N6 — CID 1289321

IUPAC4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C18H21F3N6/c19-18(20,21)13-6-5-7-14(12-13)22-15-23-16(26-8-1-2-9-26)25-17(24-15)27-10-3-4-11-27/h5-7,12H,1-4,8-11H2,(H,22,23,24,25)
InChIKeyQXTGQRFFBXWBTN-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.83
Rot. Bonds4

About 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 1289321) has the molecular formula C18H21F3N6 and a molecular weight of 378.40 g/mol. Its IUPAC name is 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID1289321
Molecular FormulaC18H21F3N6
Molecular Weight378.40 g/mol
Exact Mass378.18
IUPAC Name4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C18H21F3N6/c19-18(20,21)13-6-5-7-14(12-13)22-15-23-16(26-8-1-2-9-26)25-17(24-15)27-10-3-4-11-27/h5-7,12H,1-4,8-11H2,(H,22,23,24,25)
InChIKeyQXTGQRFFBXWBTN-UHFFFAOYSA-N
XLogP3.83
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3-(trifluoromethyl)phenyl)-1,3,5-triazine-2,4-diamine
CID 704906
2-[[4-(3-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 3146158
4,6-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 329167
N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 757416
N-phenyl-4,6-di-1-pyrrolidinyl-1,3,5-triazin-2-amine
CID 974631
(4,6-Di-piperidin-1-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1119752
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol
CID 24747175
4-(Cyclopentylamino)-6-(3-(trifluoromethyl)phenylamino)-1,3,5-triazine-2-carbonitrile
CID 44459973
6-chloro-2-N-(2,4-difluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 145952153
6-chloro-4-N-(4-fluorophenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 145956279
6-Chloro-N-isopropyl-N'-m-tolyl-[1,3,5]triazine-2,4-diamine
CID 768158
(4-Methoxy-6-piperidin-1-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 653671

Frequently Asked Questions

What is the IUPAC name of 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 1289321) is 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is FC(F)(F)c1cccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1.
What is the InChIKey of 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is QXTGQRFFBXWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6/c19-18(20,21)13-6-5-7-14(12-13)22-15-23-16(26-8-1-2-9-26)25-17(24-15)27-10-3-4-11-27/h5-7,12H,1-4,8-11H2,(H,22,23,24,25).
What are the key properties of 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 378.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dipyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 1289321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).