2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

C13H10FN3S2 — CID 62187505

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSc2ccc(F)cc2)nc2sccc12
InChIInChI=1S/C13H10FN3S2/c14-8-1-3-9(4-2-8)19-7-11-16-12(15)10-5-6-18-13(10)17-11/h1-6H,7H2,(H2,15,16,17)
InChIKeySVOMWKVHRAVUEQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.70
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62187505) has the molecular formula C13H10FN3S2 and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62187505
Molecular FormulaC13H10FN3S2
Molecular Weight291.38 g/mol
Exact Mass291.03
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSc2ccc(F)cc2)nc2sccc12
InChIInChI=1S/C13H10FN3S2/c14-8-1-3-9(4-2-8)19-7-11-16-12(15)10-5-6-18-13(10)17-11/h1-6H,7H2,(H2,15,16,17)
InChIKeySVOMWKVHRAVUEQ-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (CID 62187505) is 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CSc2ccc(F)cc2)nc2sccc12.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SVOMWKVHRAVUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S2/c14-8-1-3-9(4-2-8)19-7-11-16-12(15)10-5-6-18-13(10)17-11/h1-6H,7H2,(H2,15,16,17).
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62187505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).