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

C14H22F3N7 — CID 156717759

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NC3(C(F)(F)F)CCCC3)n2)C1
InChIInChI=1S/C14H22F3N7/c1-19-9-4-7-24(8-9)12-21-10(18)20-11(22-12)23-13(14(15,16)17)5-2-3-6-13/h9,19H,2-8H2,1H3,(H3,18,20,21,22,23)/t9-/m1/s1
InChIKeyDKVMOUVBFFBYKQ-SECBINFHSA-N
MW345.37 g/mol
LogP1.54
Rot. Bonds4

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

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine (PubChem CID 156717759) 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)cyclopentyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine
PubChem CID156717759
Molecular FormulaC14H22F3N7
Molecular Weight345.37 g/mol
Exact Mass345.19
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NC3(C(F)(F)F)CCCC3)n2)C1
InChIInChI=1S/C14H22F3N7/c1-19-9-4-7-24(8-9)12-21-10(18)20-11(22-12)23-13(14(15,16)17)5-2-3-6-13/h9,19H,2-8H2,1H3,(H3,18,20,21,22,23)/t9-/m1/s1
InChIKeyDKVMOUVBFFBYKQ-SECBINFHSA-N
XLogP1.54
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine (CID 156717759) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine is CN[C@@H]1CCN(c2nc(N)nc(NC3(C(F)(F)F)CCCC3)n2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DKVMOUVBFFBYKQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H22F3N7/c1-19-9-4-7-24(8-9)12-21-10(18)20-11(22-12)23-13(14(15,16)17)5-2-3-6-13/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)cyclopentyl]-1,3,5-triazine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 345.37 g/mol, XLogP of 1.54, 4 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)cyclopentyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 156717759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).