4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine

C14H11F2N3S2 — CID 103334079

IUPAC4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Sc3ccc(F)cc3F)nc(N)nc2s1
InChIInChI=1S/C14H11F2N3S2/c1-2-8-6-9-12(20-8)18-14(17)19-13(9)21-11-4-3-7(15)5-10(11)16/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyQOGKFTWTZDLPGN-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.27
Rot. Bonds3

About 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine

4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334079) has the molecular formula C14H11F2N3S2 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334079
Molecular FormulaC14H11F2N3S2
Molecular Weight323.39 g/mol
Exact Mass323.04
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Sc3ccc(F)cc3F)nc(N)nc2s1
InChIInChI=1S/C14H11F2N3S2/c1-2-8-6-9-12(20-8)18-14(17)19-13(9)21-11-4-3-7(15)5-10(11)16/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyQOGKFTWTZDLPGN-UHFFFAOYSA-N
XLogP4.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334542
6-ethyl-4-(1,3-thiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103334605
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676
[4-(2,4-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336488
4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323311
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136678143
6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103334914
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine
CID 63663426
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103334079) is 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(Sc3ccc(F)cc3F)nc(N)nc2s1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is QOGKFTWTZDLPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3S2/c1-2-8-6-9-12(20-8)18-14(17)19-13(9)21-11-4-3-7(15)5-10(11)16/h3-6H,2H2,1H3,(H2,17,18,19).
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 323.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).