2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C12H9ClF5N3S2 — CID 176867579

IUPAC2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESFS(F)(F)(F)(F)c1cccc(Nc2nc(Cl)nc3c2SCC3)c1
InChIInChI=1S/C12H9ClF5N3S2/c13-12-20-9-4-5-22-10(9)11(21-12)19-7-2-1-3-8(6-7)23(14,15,16,17)18/h1-3,6H,4-5H2,(H,19,20,21)
InChIKeyKFIJQMHNQATIOJ-UHFFFAOYSA-N
MW389.80 g/mol
LogP6.18
Rot. Bonds3

About 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 176867579) has the molecular formula C12H9ClF5N3S2 and a molecular weight of 389.80 g/mol. Its IUPAC name is 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID176867579
Molecular FormulaC12H9ClF5N3S2
Molecular Weight389.80 g/mol
Exact Mass388.98
IUPAC Name2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESFS(F)(F)(F)(F)c1cccc(Nc2nc(Cl)nc3c2SCC3)c1
InChIInChI=1S/C12H9ClF5N3S2/c13-12-20-9-4-5-22-10(9)11(21-12)19-7-2-1-3-8(6-7)23(14,15,16,17)18/h1-3,6H,4-5H2,(H,19,20,21)
InChIKeyKFIJQMHNQATIOJ-UHFFFAOYSA-N
XLogP6.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.80
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268265
2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268170
methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate
CID 176955908
2-[4-[(2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]ethanol
CID 178120913
2-chloro-N-(pyridin-2-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268183
2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 130505615
methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetate
CID 176913261
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 89112562
N-phenyl-2-(4-phenylpiperazin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 11956657
methyl 2-[4-[(2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]acetate
CID 178120921
2-chloro-N-(3-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102232
2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
CID 158141980

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 176867579) is 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is FS(F)(F)(F)(F)c1cccc(Nc2nc(Cl)nc3c2SCC3)c1.
What is the InChIKey of 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is KFIJQMHNQATIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF5N3S2/c13-12-20-9-4-5-22-10(9)11(21-12)19-7-2-1-3-8(6-7)23(14,15,16,17)18/h1-3,6H,4-5H2,(H,19,20,21).
What are the key properties of 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 389.80 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 176867579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).