4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

C14H13FN4OS — CID 103324814

IUPAC4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc3sc(C)cc23)cc1F
InChIInChI=1S/C14H13FN4OS/c1-7-5-9-12(18-14(16)19-13(9)21-7)17-8-3-4-11(20-2)10(15)6-8/h3-6H,1-2H3,(H3,16,17,18,19)
InChIKeyWABJLJLFSPSHKW-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.47
Rot. Bonds3

About 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324814) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324814
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC Name4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc3sc(C)cc23)cc1F
InChIInChI=1S/C14H13FN4OS/c1-7-5-9-12(18-14(16)19-13(9)21-7)17-8-3-4-11(20-2)10(15)6-8/h3-6H,1-2H3,(H3,16,17,18,19)
InChIKeyWABJLJLFSPSHKW-UHFFFAOYSA-N
XLogP3.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531844
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328583
4-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323548
4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
N-(3,4-dimethylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334159
2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964960
4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107604772
4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80778681
N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71691013
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324814) is 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is COc1ccc(Nc2nc(N)nc3sc(C)cc23)cc1F.
What is the InChIKey of 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WABJLJLFSPSHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c1-7-5-9-12(18-14(16)19-13(9)21-7)17-8-3-4-11(20-2)10(15)6-8/h3-6H,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 304.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).