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

C14H12FN3S2 — CID 62187683

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccc(F)cc2)nc2sccc12
InChIInChI=1S/C14H12FN3S2/c1-16-13-11-6-7-19-14(11)18-12(17-13)8-20-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyXKHPMWYQTITPIW-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.16
Rot. Bonds4

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

2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62187683) has the molecular formula C14H12FN3S2 and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62187683
Molecular FormulaC14H12FN3S2
Molecular Weight305.40 g/mol
Exact Mass305.05
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccc(F)cc2)nc2sccc12
InChIInChI=1S/C14H12FN3S2/c1-16-13-11-6-7-19-14(11)18-12(17-13)8-20-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyXKHPMWYQTITPIW-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.16
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-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62187683) is 2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSc2ccc(F)cc2)nc2sccc12.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XKHPMWYQTITPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S2/c1-16-13-11-6-7-19-14(11)18-12(17-13)8-20-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17,18).
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.40 g/mol, XLogP of 4.16, 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-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62187683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).