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

C15H13N5O — CID 24809764

IUPAC5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1
InChIInChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
InChIKeyVOQXQYXTZZHYBF-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.82
Rot. Bonds3

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

5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 24809764) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
PubChem CID24809764
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1
InChIInChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
InChIKeyVOQXQYXTZZHYBF-UHFFFAOYSA-N
XLogP1.82
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide (CID 24809764) is 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is VOQXQYXTZZHYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).