5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide

C17H16ClN5O — CID 66571377

IUPAC5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2ccnc(N)n2)n1C
InChIInChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(19)24)8-14(23(15)2)13-5-6-21-17(20)22-13/h3-8H,1-2H3,(H2,19,24)(H2,20,21,22)
InChIKeyQMGFZXHYEOADBG-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.79
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide (PubChem CID 66571377) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide
PubChem CID66571377
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2ccnc(N)n2)n1C
InChIInChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(19)24)8-14(23(15)2)13-5-6-21-17(20)22-13/h3-8H,1-2H3,(H2,19,24)(H2,20,21,22)
InChIKeyQMGFZXHYEOADBG-UHFFFAOYSA-N
XLogP2.79
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide (CID 66571377) is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide is Cc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2ccnc(N)n2)n1C.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide?
The InChIKey is QMGFZXHYEOADBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(19)24)8-14(23(15)2)13-5-6-21-17(20)22-13/h3-8H,1-2H3,(H2,19,24)(H2,20,21,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 66571377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).