2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C17H21F2N5O — CID 118436976

IUPAC2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(Nc2c(F)cccc2OC2CCCC2)n1
InChIInChI=1S/C17H21F2N5O/c1-17(2,19)14-22-15(20)24-16(23-14)21-13-11(18)8-5-9-12(13)25-10-6-3-4-7-10/h5,8-10H,3-4,6-7H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyLITAQETZTSPGIP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.86
Rot. Bonds5

About 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 118436976) has the molecular formula C17H21F2N5O and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID118436976
Molecular FormulaC17H21F2N5O
Molecular Weight349.39 g/mol
Exact Mass349.17
IUPAC Name2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(Nc2c(F)cccc2OC2CCCC2)n1
InChIInChI=1S/C17H21F2N5O/c1-17(2,19)14-22-15(20)24-16(23-14)21-13-11(18)8-5-9-12(13)25-10-6-3-4-7-10/h5,8-10H,3-4,6-7H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyLITAQETZTSPGIP-UHFFFAOYSA-N
XLogP3.86
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 118436976) is 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(F)c1nc(N)nc(Nc2c(F)cccc2OC2CCCC2)n1.
What is the InChIKey of 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LITAQETZTSPGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O/c1-17(2,19)14-22-15(20)24-16(23-14)21-13-11(18)8-5-9-12(13)25-10-6-3-4-7-10/h5,8-10H,3-4,6-7H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 349.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118436976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).