2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

C13H22FN5 — CID 129364008

IUPAC2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](F)c1nc(N)nc(N[C@H](C)C2CCCCC2)n1
InChIInChI=1S/C13H22FN5/c1-8(14)11-17-12(15)19-13(18-11)16-9(2)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H3,15,16,17,18,19)/t8-,9+/m0/s1
InChIKeyADDWGQQSRKAQJR-DTWKUNHWSA-N
MW267.35 g/mol
LogP2.87
Rot. Bonds4

About 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 129364008) has the molecular formula C13H22FN5 and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
PubChem CID129364008
Molecular FormulaC13H22FN5
Molecular Weight267.35 g/mol
Exact Mass267.19
IUPAC Name2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](F)c1nc(N)nc(N[C@H](C)C2CCCCC2)n1
InChIInChI=1S/C13H22FN5/c1-8(14)11-17-12(15)19-13(18-11)16-9(2)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H3,15,16,17,18,19)/t8-,9+/m0/s1
InChIKeyADDWGQQSRKAQJR-DTWKUNHWSA-N
XLogP2.87
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CID 129364008) is 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine is C[C@H](F)c1nc(N)nc(N[C@H](C)C2CCCCC2)n1.
What is the InChIKey of 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ADDWGQQSRKAQJR-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H22FN5/c1-8(14)11-17-12(15)19-13(18-11)16-9(2)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H3,15,16,17,18,19)/t8-,9+/m0/s1.
What are the key properties of 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 267.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129364008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).