2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide

C18H18ClN5O — CID 118129264

IUPAC2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide
SMILESCNC(=O)n1cc(-c2cc(NC)ncn2)cc1-c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN5O/c1-11-4-5-13(19)7-14(11)16-6-12(9-24(16)18(25)21-3)15-8-17(20-2)23-10-22-15/h4-10H,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyFVGDOKDFHPXUQC-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.80
Rot. Bonds3

About 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide

2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide (PubChem CID 118129264) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide
PubChem CID118129264
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide
SMILESCNC(=O)n1cc(-c2cc(NC)ncn2)cc1-c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN5O/c1-11-4-5-13(19)7-14(11)16-6-12(9-24(16)18(25)21-3)15-8-17(20-2)23-10-22-15/h4-10H,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyFVGDOKDFHPXUQC-UHFFFAOYSA-N
XLogP3.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(benzenesulfonyl)-3-(5-chloro-2-methylphenyl)-5-[6-(methylamino)pyrimidin-4-yl]pyrrole-2-carboxylate
CID 144563860
6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502956
4-[6-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]pyridine-2-carboxamide
CID 168929368
6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine
CID 175315515
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine
CID 98016972
N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 118129400
6-[6-(dimethylamino)-3-pyridinyl]-N-methylpyrimidin-4-amine
CID 114273206
5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
N-[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]prop-2-enamide
CID 146081623
N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide
CID 71292603

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide (CID 118129264) is 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide is CNC(=O)n1cc(-c2cc(NC)ncn2)cc1-c1cc(Cl)ccc1C.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide?
The InChIKey is FVGDOKDFHPXUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-11-4-5-13(19)7-14(11)16-6-12(9-24(16)18(25)21-3)15-8-17(20-2)23-10-22-15/h4-10H,1-3H3,(H,21,25)(H,20,22,23).
What are the key properties of 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide?
2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-N-methyl-4-[6-(methylamino)pyrimidin-4-yl]pyrrole-1-carboxamide is sourced from PubChem (CID 118129264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).