4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine

C13H10FN3S2 — CID 103335232

IUPAC4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2cccc(F)c2)c2ccsc2n1
InChIInChI=1S/C13H10FN3S2/c1-15-13-16-11-10(5-6-18-11)12(17-13)19-9-4-2-3-8(14)7-9/h2-7H,1H3,(H,15,16,17)
InChIKeyOKIRGDBONQIWGF-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.02
Rot. Bonds3

About 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine

4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103335232) has the molecular formula C13H10FN3S2 and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103335232
Molecular FormulaC13H10FN3S2
Molecular Weight291.38 g/mol
Exact Mass291.03
IUPAC Name4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2cccc(F)c2)c2ccsc2n1
InChIInChI=1S/C13H10FN3S2/c1-15-13-16-11-10(5-6-18-11)12(17-13)19-9-4-2-3-8(14)7-9/h2-7H,1H3,(H,15,16,17)
InChIKeyOKIRGDBONQIWGF-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-difluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334423
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335037
N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334534
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103334616
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334519
N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335231
4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323324
4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 114001333
4-methyl-2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 136678147

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103335232) is 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Sc2cccc(F)c2)c2ccsc2n1.
What is the InChIKey of 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is OKIRGDBONQIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S2/c1-15-13-16-11-10(5-6-18-11)12(17-13)19-9-4-2-3-8(14)7-9/h2-7H,1H3,(H,15,16,17).
What are the key properties of 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 291.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103335232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).