6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine

C15H18FN5 — CID 58590404

IUPAC6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C15H18FN5/c1-9(16)13-19-14(17)21-15(20-13)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3,(H3,17,18,19,20,21)
InChIKeyRGJNSAJDECMUHM-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.97
Rot. Bonds3

About 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 58590404) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID58590404
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C15H18FN5/c1-9(16)13-19-14(17)21-15(20-13)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3,(H3,17,18,19,20,21)
InChIKeyRGJNSAJDECMUHM-UHFFFAOYSA-N
XLogP2.97
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine (CID 58590404) is 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine is CC(F)c1nc(N)nc(NC2CCCc3ccccc32)n1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RGJNSAJDECMUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-9(16)13-19-14(17)21-15(20-13)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 287.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).