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

C16H20FN5OS — CID 57140770

IUPAC6-(2-fluoropropan-2-yl)-2-N-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1cccc2c1C(Nc1nc(N)nc(C(C)(C)F)n1)CCO2
InChIInChI=1S/C16H20FN5OS/c1-16(2,17)13-20-14(18)22-15(21-13)19-9-7-8-23-10-5-4-6-11(24-3)12(9)10/h4-6,9H,7-8H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyOJTHLMAPGOWCIJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.32
Rot. Bonds4

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

6-(2-fluoropropan-2-yl)-2-N-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 57140770) 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-(5-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-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID57140770
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1cccc2c1C(Nc1nc(N)nc(C(C)(C)F)n1)CCO2
InChIInChI=1S/C16H20FN5OS/c1-16(2,17)13-20-14(18)22-15(21-13)19-9-7-8-23-10-5-4-6-11(24-3)12(9)10/h4-6,9H,7-8H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyOJTHLMAPGOWCIJ-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-(5-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-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine (CID 57140770) is 6-(2-fluoropropan-2-yl)-2-N-(5-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-(5-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-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine is CSc1cccc2c1C(Nc1nc(N)nc(C(C)(C)F)n1)CCO2.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OJTHLMAPGOWCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-16(2,17)13-20-14(18)22-15(21-13)19-9-7-8-23-10-5-4-6-11(24-3)12(9)10/h4-6,9H,7-8H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(5-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-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57140770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).