N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

C21H22N4O — CID 109368361

IUPACN-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2C)cc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-15-8-6-7-11-18(15)14-22-20-12-19(24-16(2)25-20)21(26)23-13-17-9-4-3-5-10-17/h3-12H,13-14H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyBSNFJGADMDOHKQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.64
Rot. Bonds6

About N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109368361) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109368361
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2C)cc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-15-8-6-7-11-18(15)14-22-20-12-19(24-16(2)25-20)21(26)23-13-17-9-4-3-5-10-17/h3-12H,13-14H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyBSNFJGADMDOHKQ-UHFFFAOYSA-N
XLogP3.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(2-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109368512
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422
N-(3-methoxypropyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109365172
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364632
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109365996
N-[(2-methoxyphenyl)methyl]-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370200
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109368537

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109368361) is N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1nc(NCc2ccccc2C)cc(C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is BSNFJGADMDOHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-8-6-7-11-18(15)14-22-20-12-19(24-16(2)25-20)21(26)23-13-17-9-4-3-5-10-17/h3-12H,13-14H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109368361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).