6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine

C14H22F3N7 — CID 156717739

About 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 156717739) has the molecular formula C14H22F3N7 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 156717739
• Molecular Formula: C14H22F3N7
• Molecular Weight: 345.37 g/mol
• Exact Mass: 345.19
• IUPAC Name: 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
• SMILES: CN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)(F)F)CCC3)n2)C1
• InChI: InChI=1S/C14H22F3N7/c1-19-9-3-6-24(7-9)12-22-10(18)21-11(23-12)20-8-13(4-2-5-13)14(15,16)17/h9,19H,2-8H2,1H3,(H3,18,20,21,22,23)/t9-/m1/s1
• InChIKey: UEUPCSJJNKKSCY-SECBINFHSA-N
• XLogP: 1.40
• TPSA: 91.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.37
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine (CID 156717739) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine is CN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)(F)F)CCC3)n2)C1.

What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is UEUPCSJJNKKSCY-SECBINFHSA-N. The full InChI is InChI=1S/C14H22F3N7/c1-19-9-3-6-24(7-9)12-22-10(18)21-11(23-12)20-8-13(4-2-5-13)14(15,16)17/h9,19H,2-8H2,1H3,(H3,18,20,21,22,23)/t9-/m1/s1.

What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine?

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 345.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 156717739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).