6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine

C16H20FN5OS — CID 57272589

IUPAC6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1ccc2c(c1)OCCC2Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C16H20FN5OS/c1-16(2,17)13-20-14(18)22-15(21-13)19-11-6-7-23-12-8-9(24-3)4-5-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyZENJFIZNZGSYQB-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.32
Rot. Bonds4

About 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine

6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 57272589) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID57272589
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1ccc2c(c1)OCCC2Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C16H20FN5OS/c1-16(2,17)13-20-14(18)22-15(21-13)19-11-6-7-23-12-8-9(24-3)4-5-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyZENJFIZNZGSYQB-UHFFFAOYSA-N
XLogP3.32
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine (CID 57272589) is 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine is CSc1ccc2c(c1)OCCC2Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZENJFIZNZGSYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-16(2,17)13-20-14(18)22-15(21-13)19-11-6-7-23-12-8-9(24-3)4-5-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 349.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57272589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).