5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide

C15H12N4OS — CID 24809936

IUPAC5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)sc1-c1ccccc1
InChIInChI=1S/C15H12N4OS/c16-14(20)10-8-12(11-6-7-18-15(17)19-11)21-13(10)9-4-2-1-3-5-9/h1-8H,(H2,16,20)(H2,17,18,19)
InChIKeyDJAMYJHJBLQPKJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.55
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide (PubChem CID 24809936) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide
PubChem CID24809936
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)sc1-c1ccccc1
InChIInChI=1S/C15H12N4OS/c16-14(20)10-8-12(11-6-7-18-15(17)19-11)21-13(10)9-4-2-1-3-5-9/h1-8H,(H2,16,20)(H2,17,18,19)
InChIKeyDJAMYJHJBLQPKJ-UHFFFAOYSA-N
XLogP2.55
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide (CID 24809936) is 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccnc(N)n2)sc1-c1ccccc1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide?
The InChIKey is DJAMYJHJBLQPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-14(20)10-8-12(11-6-7-18-15(17)19-11)21-13(10)9-4-2-1-3-5-9/h1-8H,(H2,16,20)(H2,17,18,19).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-phenylthiophene-3-carboxamide is sourced from PubChem (CID 24809936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).