6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

C21H22N4O — CID 109368287

IUPAC6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2)cc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H22N4O/c1-14-8-7-11-18(15(14)2)25-21(26)19-12-20(24-16(3)23-19)22-13-17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyBYZGATJJGFTPFH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.27
Rot. Bonds5

About 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368287) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368287
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2)cc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H22N4O/c1-14-8-7-11-18(15(14)2)25-21(26)19-12-20(24-16(3)23-19)22-13-17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyBYZGATJJGFTPFH-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369592
6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368304
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846721
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369384
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
N-(2,6-dimethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371484
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709
6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109368287) is 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(NCc2ccccc2)cc(C(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is BYZGATJJGFTPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-8-7-11-18(15(14)2)25-21(26)19-12-20(24-16(3)23-19)22-13-17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).