5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide

C13H11N5OS — CID 24809902

IUPAC5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cccs1
InChIInChI=1S/C13H11N5OS/c14-12(19)7-6-9(8-3-4-16-13(15)18-8)17-11(7)10-2-1-5-20-10/h1-6,17H,(H2,14,19)(H2,15,16,18)
InChIKeyCEKJXDVQNFUQAV-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.88
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 24809902) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide
PubChem CID24809902
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cccs1
InChIInChI=1S/C13H11N5OS/c14-12(19)7-6-9(8-3-4-16-13(15)18-8)17-11(7)10-2-1-5-20-10/h1-6,17H,(H2,14,19)(H2,15,16,18)
InChIKeyCEKJXDVQNFUQAV-UHFFFAOYSA-N
XLogP1.88
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide (CID 24809902) is 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cccs1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide?
The InChIKey is CEKJXDVQNFUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-12(19)7-6-9(8-3-4-16-13(15)18-8)17-11(7)10-2-1-5-20-10/h1-6,17H,(H2,14,19)(H2,15,16,18).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-thiophen-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).