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

C15H12IN5O — CID 24809933

IUPAC5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)[nH]c(-c2ccnc(N)n2)c1I
InChIInChI=1S/C15H12IN5O/c16-11-10(14(17)22)12(8-4-2-1-3-5-8)21-13(11)9-6-7-19-15(18)20-9/h1-7,21H,(H2,17,22)(H2,18,19,20)
InChIKeyZFUUZACDRUZMSC-UHFFFAOYSA-N
MW405.20 g/mol
LogP2.42
Rot. Bonds3

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

5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 24809933) has the molecular formula C15H12IN5O and a molecular weight of 405.20 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide
PubChem CID24809933
Molecular FormulaC15H12IN5O
Molecular Weight405.20 g/mol
Exact Mass405.01
IUPAC Name5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)[nH]c(-c2ccnc(N)n2)c1I
InChIInChI=1S/C15H12IN5O/c16-11-10(14(17)22)12(8-4-2-1-3-5-8)21-13(11)9-6-7-19-15(18)20-9/h1-7,21H,(H2,17,22)(H2,18,19,20)
InChIKeyZFUUZACDRUZMSC-UHFFFAOYSA-N
XLogP2.42
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide (CID 24809933) is 5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide is NC(=O)c1c(-c2ccccc2)[nH]c(-c2ccnc(N)n2)c1I.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is ZFUUZACDRUZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN5O/c16-11-10(14(17)22)12(8-4-2-1-3-5-8)21-13(11)9-6-7-19-15(18)20-9/h1-7,21H,(H2,17,22)(H2,18,19,20).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 405.20 g/mol, XLogP of 2.42, 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)-4-iodo-2-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).