N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide

C20H19ClN4O — CID 109256687

IUPACN-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ncc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C20H19ClN4O/c1-14-10-17(21)8-9-18(14)24-20-22-11-16(12-23-20)19(26)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,23,24)
InChIKeySRGWXHODOUDFEV-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.45
Rot. Bonds5

About N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide

N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide (PubChem CID 109256687) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
PubChem CID109256687
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ncc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C20H19ClN4O/c1-14-10-17(21)8-9-18(14)24-20-22-11-16(12-23-20)19(26)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,23,24)
InChIKeySRGWXHODOUDFEV-UHFFFAOYSA-N
XLogP4.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-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

N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
CID 109256739
N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105473
N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide
CID 109256693
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
CID 109255301
N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256679
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949296
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide (CID 109256687) is N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide is Cc1cc(Cl)ccc1Nc1ncc(C(=O)N(C)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is SRGWXHODOUDFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-10-17(21)8-9-18(14)24-20-22-11-16(12-23-20)19(26)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide?
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109256687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).