2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

C14H12FN3OS2 — CID 104792341

IUPAC2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CSc2nc(N)c3ccsc3n2)c1F
InChIInChI=1S/C14H12FN3OS2/c1-19-10-4-2-3-8(11(10)15)7-21-14-17-12(16)9-5-6-20-13(9)18-14/h2-6H,7H2,1H3,(H2,16,17,18)
InChIKeyCKOGAYJXDWTRTD-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.71
Rot. Bonds4

About 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 104792341) has the molecular formula C14H12FN3OS2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID104792341
Molecular FormulaC14H12FN3OS2
Molecular Weight321.40 g/mol
Exact Mass321.04
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CSc2nc(N)c3ccsc3n2)c1F
InChIInChI=1S/C14H12FN3OS2/c1-19-10-4-2-3-8(11(10)15)7-21-14-17-12(16)9-5-6-20-13(9)18-14/h2-6H,7H2,1H3,(H2,16,17,18)
InChIKeyCKOGAYJXDWTRTD-UHFFFAOYSA-N
XLogP3.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 39012999
2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 55111023
2-[2-(3-methoxypropoxy)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 103180181
2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62190157
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 42891317
2-[2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 104791242
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 60699011
2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62187505
2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62190130
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
1-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-butoxypropan-2-ol
CID 107263338
2,6-diamino-N-[(2-fluoro-3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104467

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (CID 104792341) is 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is COc1cccc(CSc2nc(N)c3ccsc3n2)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CKOGAYJXDWTRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS2/c1-19-10-4-2-3-8(11(10)15)7-21-14-17-12(16)9-5-6-20-13(9)18-14/h2-6H,7H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 321.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 104792341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).