4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C12H17F3N6 — CID 80789606

IUPAC4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N2CCCC2)nc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H17F3N6/c13-12(14,15)7-21(8-3-4-8)11-18-9(16)17-10(19-11)20-5-1-2-6-20/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyKBDPJQUTHGLJDT-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.59
Rot. Bonds4

About 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80789606) has the molecular formula C12H17F3N6 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80789606
Molecular FormulaC12H17F3N6
Molecular Weight302.30 g/mol
Exact Mass302.15
IUPAC Name4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N2CCCC2)nc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H17F3N6/c13-12(14,15)7-21(8-3-4-8)11-18-9(16)17-10(19-11)20-5-1-2-6-20/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyKBDPJQUTHGLJDT-UHFFFAOYSA-N
XLogP1.59
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80789606) is 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N2CCCC2)nc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KBDPJQUTHGLJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N6/c13-12(14,15)7-21(8-3-4-8)11-18-9(16)17-10(19-11)20-5-1-2-6-20/h8H,1-7H2,(H2,16,17,18,19).
What are the key properties of 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 302.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80789606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).