2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide

C17H21ClN4O — CID 109262388

IUPAC2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2c(C)cc(C)cc2Cl)nc1
InChIInChI=1S/C17H21ClN4O/c1-5-22(6-2)16(23)13-9-19-17(20-10-13)21-15-12(4)7-11(3)8-14(15)18/h7-10H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyMPIIOACCONDBTB-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.97
Rot. Bonds5

About 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide

2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide (PubChem CID 109262388) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide
PubChem CID109262388
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2c(C)cc(C)cc2Cl)nc1
InChIInChI=1S/C17H21ClN4O/c1-5-22(6-2)16(23)13-9-19-17(20-10-13)21-15-12(4)7-11(3)8-14(15)18/h7-10H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyMPIIOACCONDBTB-UHFFFAOYSA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263439
2-(3,4-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262443
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262430
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262415
N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109263658
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265605
N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 90163606
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869
N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109262395
2-(1,3-benzodioxol-5-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109269272

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide (CID 109262388) is 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(Nc2c(C)cc(C)cc2Cl)nc1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide?
The InChIKey is MPIIOACCONDBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-5-22(6-2)16(23)13-9-19-17(20-10-13)21-15-12(4)7-11(3)8-14(15)18/h7-10H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide?
2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).