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

C15H11N5 — CID 58150488

IUPAC5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1
InChIInChI=1S/C15H11N5/c16-9-11-8-13(12-6-7-18-15(17)20-12)19-14(11)10-4-2-1-3-5-10/h1-8,19H,(H2,17,18,20)
InChIKeyHKSVISIKEFMKHQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.59
Rot. Bonds2

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

5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile (PubChem CID 58150488) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile
PubChem CID58150488
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1
InChIInChI=1S/C15H11N5/c16-9-11-8-13(12-6-7-18-15(17)20-12)19-14(11)10-4-2-1-3-5-10/h1-8,19H,(H2,17,18,20)
InChIKeyHKSVISIKEFMKHQ-UHFFFAOYSA-N
XLogP2.59
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
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-carbonitrile?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile (CID 58150488) is 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile?
The InChIKey is HKSVISIKEFMKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-9-11-8-13(12-6-7-18-15(17)20-12)19-14(11)10-4-2-1-3-5-10/h1-8,19H,(H2,17,18,20).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile?
5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carbonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 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-carbonitrile is sourced from PubChem (CID 58150488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).