2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide

C20H20N4O — CID 109265869

IUPAC2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)N(C)c3ccccc3)cn2)cc1C
InChIInChI=1S/C20H20N4O/c1-14-9-10-17(11-15(14)2)23-20-21-12-16(13-22-20)19(25)24(3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,22,23)
InChIKeyNJBCURIXSNXXGH-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.11
Rot. Bonds4

About 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide

2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109265869) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109265869
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)N(C)c3ccccc3)cn2)cc1C
InChIInChI=1S/C20H20N4O/c1-14-9-10-17(11-15(14)2)23-20-21-12-16(13-22-20)19(25)24(3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,22,23)
InChIKeyNJBCURIXSNXXGH-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109266763
N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109265906
2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265884
6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162356
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162361
2-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266730
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263759
3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109065745
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261123
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide (CID 109265869) is 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)N(C)c3ccccc3)cn2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is NJBCURIXSNXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-9-10-17(11-15(14)2)23-20-21-12-16(13-22-20)19(25)24(3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109265869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).