5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C14H13N3O2S — CID 40773451

IUPAC5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(N)c23)cc1OC
InChIInChI=1S/C14H13N3O2S/c1-18-10-4-3-8(5-11(10)19-2)9-6-20-14-12(9)13(15)16-7-17-14/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyWNRGNVPXPSXMRJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.96
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 40773451) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID40773451
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(N)c23)cc1OC
InChIInChI=1S/C14H13N3O2S/c1-18-10-4-3-8(5-11(10)19-2)9-6-20-14-12(9)13(15)16-7-17-14/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyWNRGNVPXPSXMRJ-UHFFFAOYSA-N
XLogP2.96
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-amino-3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 69063251
5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 69063349
5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010174
5-(3-aminophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 46738571
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011253
1-[4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 21009523
5-(3,4-dimethoxyphenyl)-N-(2-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010561
2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylphenol
CID 21011196
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-chlorophenyl)urea
CID 69056238
5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695342
4-[(4-bromo-2-fluorophenyl)methoxy]-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine
CID 2116030

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 40773451) is 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3ncnc(N)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WNRGNVPXPSXMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-18-10-4-3-8(5-11(10)19-2)9-6-20-14-12(9)13(15)16-7-17-14/h3-7H,1-2H3,(H2,15,16,17).
What are the key properties of 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 40773451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).