4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H14FN5OS — CID 80887155

IUPAC4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2cccc(F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H14FN5OS/c14-9-2-1-3-10(8-9)21-13-17-11(15)16-12(18-13)19-4-6-20-7-5-19/h1-3,8H,4-7H2,(H2,15,16,17,18)
InChIKeyZRPIRWXBWDIBAY-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.58
Rot. Bonds3

About 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80887155) has the molecular formula C13H14FN5OS and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80887155
Molecular FormulaC13H14FN5OS
Molecular Weight307.35 g/mol
Exact Mass307.09
IUPAC Name4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2cccc(F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H14FN5OS/c14-9-2-1-3-10(8-9)21-13-17-11(15)16-12(18-13)19-4-6-20-7-5-19/h1-3,8H,4-7H2,(H2,15,16,17,18)
InChIKeyZRPIRWXBWDIBAY-UHFFFAOYSA-N
XLogP1.58
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80895321
4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872274
4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115505122
4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885930
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106928670
3-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylaniline
CID 122526454
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873072
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol
CID 80890217
4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80865052
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine
CID 62865788

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80887155) is 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(Sc2cccc(F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is ZRPIRWXBWDIBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5OS/c14-9-2-1-3-10(8-9)21-13-17-11(15)16-12(18-13)19-4-6-20-7-5-19/h1-3,8H,4-7H2,(H2,15,16,17,18).
What are the key properties of 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 307.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).