N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide

C21H22N4O — CID 109368422

IUPACN-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(C)cccc2C)cc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-14-8-7-9-15(2)20(14)25-19-12-18(23-16(3)24-19)21(26)22-13-17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDLCHJZMULHDHCZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds5

About N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide

N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368422) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109368422
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(C)cccc2C)cc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-14-8-7-9-15(2)20(14)25-19-12-18(23-16(3)24-19)21(26)22-13-17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDLCHJZMULHDHCZ-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433
2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371117
6-(2,3-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369893
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372724
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368872
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 109368422) is N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2c(C)cccc2C)cc(C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is DLCHJZMULHDHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-8-7-9-15(2)20(14)25-19-12-18(23-16(3)24-19)21(26)22-13-17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).