2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C20H19ClN4O — CID 109304118

IUPAC2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)NCc3ccccc3C)n2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-13-5-3-4-6-15(13)12-23-19(26)18-9-10-22-20(25-18)24-16-8-7-14(2)17(21)11-16/h3-11H,12H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyGCKXXEOUUSRXKZ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.42
Rot. Bonds5

About 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109304118) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109304118
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)NCc3ccccc3C)n2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-13-5-3-4-6-15(13)12-23-19(26)18-9-10-22-20(25-18)24-16-8-7-14(2)17(21)11-16/h3-11H,12H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyGCKXXEOUUSRXKZ-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304121
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304126
2-(3-chloro-4-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308656
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109304137
2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305444
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
methyl 3-[[4-[(2-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109304143
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
N-[(2-chlorophenyl)methyl]-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109305892

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109304118) is 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)NCc3ccccc3C)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is GCKXXEOUUSRXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-5-3-4-6-15(13)12-23-19(26)18-9-10-22-20(25-18)24-16-8-7-14(2)17(21)11-16/h3-11H,12H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).