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

C16H15N5O — CID 24809765

IUPAC5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccccc1-c1[nH]c(-c2ccnc(N)n2)cc1C(N)=O
InChIInChI=1S/C16H15N5O/c1-9-4-2-3-5-10(9)14-11(15(17)22)8-13(20-14)12-6-7-19-16(18)21-12/h2-8,20H,1H3,(H2,17,22)(H2,18,19,21)
InChIKeyXSQBVAOOZUWVNF-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.13
Rot. Bonds3

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

5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 24809765) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID24809765
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccccc1-c1[nH]c(-c2ccnc(N)n2)cc1C(N)=O
InChIInChI=1S/C16H15N5O/c1-9-4-2-3-5-10(9)14-11(15(17)22)8-13(20-14)12-6-7-19-16(18)21-12/h2-8,20H,1H3,(H2,17,22)(H2,18,19,21)
InChIKeyXSQBVAOOZUWVNF-UHFFFAOYSA-N
XLogP2.13
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.13
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-(2-methylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide (CID 24809765) is 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide is Cc1ccccc1-c1[nH]c(-c2ccnc(N)n2)cc1C(N)=O.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is XSQBVAOOZUWVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-9-4-2-3-5-10(9)14-11(15(17)22)8-13(20-14)12-6-7-19-16(18)21-12/h2-8,20H,1H3,(H2,17,22)(H2,18,19,21).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.13, 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-(2-methylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).