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

C13H12N4OS — CID 69063349

IUPAC5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(N)ccc1-c1csc2ncnc(N)c12
InChIInChI=1S/C13H12N4OS/c1-18-10-4-7(14)2-3-8(10)9-5-19-13-11(9)12(15)16-6-17-13/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyXZHXHHFYMATTLU-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.53
Rot. Bonds2

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

5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 69063349) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID69063349
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(N)ccc1-c1csc2ncnc(N)c12
InChIInChI=1S/C13H12N4OS/c1-18-10-4-7(14)2-3-8(10)9-5-19-13-11(9)12(15)16-6-17-13/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyXZHXHHFYMATTLU-UHFFFAOYSA-N
XLogP2.53
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 69063349) is 5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1cc(N)ccc1-c1csc2ncnc(N)c12.
What is the InChIKey of 5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XZHXHHFYMATTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-18-10-4-7(14)2-3-8(10)9-5-19-13-11(9)12(15)16-6-17-13/h2-6H,14H2,1H3,(H2,15,16,17).
What are the key properties of 5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 272.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69063349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).