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

C18H18ClN5O — CID 66571378

IUPAC5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN5O/c1-3-24-15(14-6-7-22-18(21)23-14)9-13(17(20)25)16(24)12-8-11(19)5-4-10(12)2/h4-9H,3H2,1-2H3,(H2,20,25)(H2,21,22,23)
InChIKeyGPSCMUMAFNLGBT-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.27
Rot. Bonds4

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

5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide (PubChem CID 66571378) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide
PubChem CID66571378
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN5O/c1-3-24-15(14-6-7-22-18(21)23-14)9-13(17(20)25)16(24)12-8-11(19)5-4-10(12)2/h4-9H,3H2,1-2H3,(H2,20,25)(H2,21,22,23)
InChIKeyGPSCMUMAFNLGBT-UHFFFAOYSA-N
XLogP3.27
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide
CID 66571200
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-ethylphenyl)-4-iodo-1H-pyrrole-3-carboxamide
CID 90271347
3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrazole-5-carboxamide;3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrazole-5-carboxylic acid
CID 159391663
3-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-ethylphenyl)pyrazole-5-carboxamide
CID 66558170
2-(2-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592
[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 82891450
[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593457
5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide;sulfuric acid
CID 52939598
ethyl 5-(2-aminopyrimidin-4-yl)-1-methylpyrrole-3-carboxylate
CID 66678407
2-[5-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1H-pyrrol-3-yl]benzamide
CID 175261561
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-4-[2-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethynyl]-1H-pyrrole-3-carboxamide
CID 90271492

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide (CID 66571378) is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide is CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1cc(Cl)ccc1C.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide?
The InChIKey is GPSCMUMAFNLGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-3-24-15(14-6-7-22-18(21)23-14)9-13(17(20)25)16(24)12-8-11(19)5-4-10(12)2/h4-9H,3H2,1-2H3,(H2,20,25)(H2,21,22,23).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-ethylpyrrole-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.27, 4 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-ethylpyrrole-3-carboxamide is sourced from PubChem (CID 66571378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).