N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide

C20H20N4O — CID 109305156

IUPACN-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)N(C)Cc3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O/c1-15-7-6-10-17(13-15)22-20-21-12-11-18(23-20)19(25)24(2)14-16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,21,22,23)
InChIKeyDISFBTWJZRMHTE-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.80
Rot. Bonds5

About N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide

N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109305156) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109305156
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)N(C)Cc3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O/c1-15-7-6-10-17(13-15)22-20-21-12-11-18(23-20)19(25)24(2)14-16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,21,22,23)
InChIKeyDISFBTWJZRMHTE-UHFFFAOYSA-N
XLogP3.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305166
6-N-benzyl-6-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097681
ethyl 4-[[4-[benzyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305222
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305170
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296718
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313131
N-benzyl-2-(3-cyanoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311728

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide (CID 109305156) is N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2nccc(C(=O)N(C)Cc3ccccc3)n2)c1.
What is the InChIKey of N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is DISFBTWJZRMHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-7-6-10-17(13-15)22-20-21-12-11-18(23-20)19(25)24(2)14-16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,21,22,23).
What are the key properties of N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide?
N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).