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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Related Compounds

2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
hGGPPS-IN-1
CID 71583205
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
4-Anilinothieno[2,3-d]pyrimidine
CID 2477685
2-Phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 337817
5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 10923591
4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 704026
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
7-Methyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CID 2006142
1-Methyl-4-{2-methyl-6-phenylthieno[2,3-D]pyrimidin-4-YL}piperazine
CID 2086721

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).