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

C13H10FN3S — CID 62188533

IUPAC2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)cc2)nc2sccc12
InChIInChI=1S/C13H10FN3S/c1-15-12-10-6-7-18-13(10)17-11(16-12)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16,17)
InChIKeyBVQLFGAIYNNPJF-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.54
Rot. Bonds2

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

2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62188533) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62188533
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)cc2)nc2sccc12
InChIInChI=1S/C13H10FN3S/c1-15-12-10-6-7-18-13(10)17-11(16-12)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16,17)
InChIKeyBVQLFGAIYNNPJF-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ddp-225
CID 6918194
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
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
({[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methanediyl)bis(Phosphonic Acid)
CID 71583208
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
4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 10923591

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62188533) is 2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(-c2ccc(F)cc2)nc2sccc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BVQLFGAIYNNPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c1-15-12-10-6-7-18-13(10)17-11(16-12)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16,17).
What are the key properties of 2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62188533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).