4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide

C15H13N5O — CID 90034350

IUPAC4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2cc(N)ncn2)cn1-c1ccccc1
InChIInChI=1S/C15H13N5O/c16-14-7-12(18-9-19-14)10-6-13(15(17)21)20(8-10)11-4-2-1-3-5-11/h1-9H,(H2,17,21)(H2,16,18,19)
InChIKeyMIPZCJMIVQGEMA-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.62
Rot. Bonds3

About 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide

4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide (PubChem CID 90034350) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide
PubChem CID90034350
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2cc(N)ncn2)cn1-c1ccccc1
InChIInChI=1S/C15H13N5O/c16-14-7-12(18-9-19-14)10-6-13(15(17)21)20(8-10)11-4-2-1-3-5-11/h1-9H,(H2,17,21)(H2,16,18,19)
InChIKeyMIPZCJMIVQGEMA-UHFFFAOYSA-N
XLogP1.62
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide?
The IUPAC name of 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide (CID 90034350) is 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide?
The canonical SMILES for 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide is NC(=O)c1cc(-c2cc(N)ncn2)cn1-c1ccccc1.
What is the InChIKey of 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide?
The InChIKey is MIPZCJMIVQGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-14-7-12(18-9-19-14)10-6-13(15(17)21)20(8-10)11-4-2-1-3-5-11/h1-9H,(H2,17,21)(H2,16,18,19).
What are the key properties of 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide?
4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyrimidin-4-yl)-1-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 90034350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).