6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine

C15H17F2N5 — CID 58590498

IUPAC6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc2c(cc1F)CCC2Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C15H17F2N5/c1-7-5-10-9(6-11(7)17)3-4-12(10)19-15-21-13(8(2)16)20-14(18)22-15/h5-6,8,12H,3-4H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyBQJACPPUSXKAHZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.03
Rot. Bonds3

About 6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 58590498) has the molecular formula C15H17F2N5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID58590498
Molecular FormulaC15H17F2N5
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC Name6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc2c(cc1F)CCC2Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C15H17F2N5/c1-7-5-10-9(6-11(7)17)3-4-12(10)19-15-21-13(8(2)16)20-14(18)22-15/h5-6,8,12H,3-4H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyBQJACPPUSXKAHZ-UHFFFAOYSA-N
XLogP3.03
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.03
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-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine (CID 58590498) is 6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine is Cc1cc2c(cc1F)CCC2Nc1nc(N)nc(C(C)F)n1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BQJACPPUSXKAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5/c1-7-5-10-9(6-11(7)17)3-4-12(10)19-15-21-13(8(2)16)20-14(18)22-15/h5-6,8,12H,3-4H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 305.33 g/mol, XLogP of 3.03, 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-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).