N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide

C21H22N4O — CID 109255999

IUPACN-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1cccc(CNc2ncc(C(=O)Nc3cccc(C)c3C)cn2)c1
InChIInChI=1S/C21H22N4O/c1-14-6-4-8-17(10-14)11-22-21-23-12-18(13-24-21)20(26)25-19-9-5-7-15(2)16(19)3/h4-10,12-13H,11H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeySUNZCQIJNYKBRB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.27
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109255999) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109255999
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1cccc(CNc2ncc(C(=O)Nc3cccc(C)c3C)cn2)c1
InChIInChI=1S/C21H22N4O/c1-14-6-4-8-17(10-14)11-22-21-23-12-18(13-24-21)20(26)25-19-9-5-7-15(2)16(19)3/h4-10,12-13H,11H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeySUNZCQIJNYKBRB-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-(2,4-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255994
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109258283
5-N-(2,3-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105213
2-(3,5-dimethylanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266911
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257733
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109255999) is N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1cccc(CNc2ncc(C(=O)Nc3cccc(C)c3C)cn2)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is SUNZCQIJNYKBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-6-4-8-17(10-14)11-22-21-23-12-18(13-24-21)20(26)25-19-9-5-7-15(2)16(19)3/h4-10,12-13H,11H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-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 N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).