2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H14FN3S2 — CID 66064348

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccc(F)cc2)nc2sc(C)cc12
InChIInChI=1S/C15H14FN3S2/c1-9-7-12-14(17-2)18-13(19-15(12)21-9)8-20-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyYADKOUGRACOOIW-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.47
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 66064348) has the molecular formula C15H14FN3S2 and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID66064348
Molecular FormulaC15H14FN3S2
Molecular Weight319.43 g/mol
Exact Mass319.06
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccc(F)cc2)nc2sc(C)cc12
InChIInChI=1S/C15H14FN3S2/c1-9-7-12-14(17-2)18-13(19-15(12)21-9)8-20-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyYADKOUGRACOOIW-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.47
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]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 66064348) is 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSc2ccc(F)cc2)nc2sc(C)cc12.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YADKOUGRACOOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S2/c1-9-7-12-14(17-2)18-13(19-15(12)21-9)8-20-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66064348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).