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

C15H12ClN5O — CID 24809801

IUPAC5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1Cl
InChIInChI=1S/C15H12ClN5O/c16-10-4-2-1-3-8(10)13-9(14(17)22)7-12(20-13)11-5-6-19-15(18)21-11/h1-7,20H,(H2,17,22)(H2,18,19,21)
InChIKeyKRVBJEQIVDIUNS-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.47
Rot. Bonds3

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

5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 24809801) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID24809801
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1Cl
InChIInChI=1S/C15H12ClN5O/c16-10-4-2-1-3-8(10)13-9(14(17)22)7-12(20-13)11-5-6-19-15(18)21-11/h1-7,20H,(H2,17,22)(H2,18,19,21)
InChIKeyKRVBJEQIVDIUNS-UHFFFAOYSA-N
XLogP2.47
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.47
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-chlorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide (CID 24809801) is 5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is KRVBJEQIVDIUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-10-4-2-1-3-8(10)13-9(14(17)22)7-12(20-13)11-5-6-19-15(18)21-11/h1-7,20H,(H2,17,22)(H2,18,19,21).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 313.75 g/mol, XLogP of 2.47, 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-chlorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).