1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide

C16H14ClN5O — CID 118129401

IUPAC1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1cn(-c2cc(N)ncn2)cc1C(N)=O
InChIInChI=1S/C16H14ClN5O/c1-9-2-3-10(17)4-11(9)12-6-22(7-13(12)16(19)23)15-5-14(18)20-8-21-15/h2-8H,1H3,(H2,19,23)(H2,18,20,21)
InChIKeyFMHOMUDGGBYDNS-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.58
Rot. Bonds3

About 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide

1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide (PubChem CID 118129401) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide
PubChem CID118129401
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1cn(-c2cc(N)ncn2)cc1C(N)=O
InChIInChI=1S/C16H14ClN5O/c1-9-2-3-10(17)4-11(9)12-6-22(7-13(12)16(19)23)15-5-14(18)20-8-21-15/h2-8H,1H3,(H2,19,23)(H2,18,20,21)
InChIKeyFMHOMUDGGBYDNS-UHFFFAOYSA-N
XLogP2.58
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Aminopyrimidin-4-Yl)-2-(5-Chloro-2-Methylphenyl)-1h-Pyrrole-3-Carboxamide
CID 57659335
2-(5-Chloro-2-Methylphenyl)-1-Methyl-5-(2-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide
CID 76210601
A1AR antagonist 5
CID 135646528
5-(2-aminopyrimidin-4-yl)-2-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
CID 24809801
5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
CID 24809803
5-(2-aminopyrimidin-4-yl)-2-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 24809834
5-(2-amino-5-chloropyrimidin-4-yl)-2-p-tolyl-1H-pyrrole-3-carboxamide
CID 24809931
5-(2-Amino-pyrimidin-4-yl)-1-methyl-2-phenyl-1H-pyrrole-3-carboxamide
CID 49788937
5-(2-aminopyrimidin-4-yl)-2-(3-chlorophenyl)-1H-pyrrole-3-carboxamide
CID 57659282
5-(2-aminopyrimidin-4-yl)-2-(2,5-dichlorophenyl)-1H-pyrrole-3-carboxamide
CID 66571005
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-ethylphenyl)-1H-pyrrole-3-carboxamide
CID 66571008
5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide
CID 66571009

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide (CID 118129401) is 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide is Cc1ccc(Cl)cc1-c1cn(-c2cc(N)ncn2)cc1C(N)=O.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is FMHOMUDGGBYDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-9-2-3-10(17)4-11(9)12-6-22(7-13(12)16(19)23)15-5-14(18)20-8-21-15/h2-8H,1H3,(H2,19,23)(H2,18,20,21).
What are the key properties of 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide?
1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 118129401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).