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

C15H12FN5O — CID 24809937

IUPAC5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2nc(N)ncc2F)[nH]c1-c1ccccc1
InChIInChI=1S/C15H12FN5O/c16-10-7-19-15(18)21-13(10)11-6-9(14(17)22)12(20-11)8-4-2-1-3-5-8/h1-7,20H,(H2,17,22)(H2,18,19,21)
InChIKeyPEQPUGZELMBNKY-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.96
Rot. Bonds3

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

5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 24809937) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
PubChem CID24809937
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2nc(N)ncc2F)[nH]c1-c1ccccc1
InChIInChI=1S/C15H12FN5O/c16-10-7-19-15(18)21-13(10)11-6-9(14(17)22)12(20-11)8-4-2-1-3-5-8/h1-7,20H,(H2,17,22)(H2,18,19,21)
InChIKeyPEQPUGZELMBNKY-UHFFFAOYSA-N
XLogP1.96
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide (CID 24809937) is 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2nc(N)ncc2F)[nH]c1-c1ccccc1.
What is the InChIKey of 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is PEQPUGZELMBNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-10-7-19-15(18)21-13(10)11-6-9(14(17)22)12(20-11)8-4-2-1-3-5-8/h1-7,20H,(H2,17,22)(H2,18,19,21).
What are the key properties of 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide?
5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-fluoropyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).