3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide

C19H15Cl3N4O — CID 108792603

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide
SMILESCc1cc(C)nc(Nc2cccc(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2)n1
InChIInChI=1S/C19H15Cl3N4O/c1-10-6-11(2)24-19(23-10)25-14-5-3-4-12(7-14)18(27)26-17-15(21)8-13(20)9-16(17)22/h3-9H,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyRJKJJWOUZOJQBS-UHFFFAOYSA-N
MW421.72 g/mol
LogP6.05
Rot. Bonds4

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 108792603) has the molecular formula C19H15Cl3N4O and a molecular weight of 421.72 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID108792603
Molecular FormulaC19H15Cl3N4O
Molecular Weight421.72 g/mol
Exact Mass420.03
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide
SMILESCc1cc(C)nc(Nc2cccc(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2)n1
InChIInChI=1S/C19H15Cl3N4O/c1-10-6-11(2)24-19(23-10)25-14-5-3-4-12(7-14)18(27)26-17-15(21)8-13(20)9-16(17)22/h3-9H,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyRJKJJWOUZOJQBS-UHFFFAOYSA-N
XLogP6.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.72
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779048
N-(2-chloro-4-nitrophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792492
N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792460
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide
CID 71700893
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 108804643
5-chloro-4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-2-methoxybenzoic acid
CID 108804649
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
1-[3-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112931419
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 108804701

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide (CID 108792603) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide is Cc1cc(C)nc(Nc2cccc(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is RJKJJWOUZOJQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N4O/c1-10-6-11(2)24-19(23-10)25-14-5-3-4-12(7-14)18(27)26-17-15(21)8-13(20)9-16(17)22/h3-9H,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 421.72 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 108792603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).