2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide

C19H17Cl2N5O — CID 139958644

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)c(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C19H17Cl2N5O/c1-12-7-8-14(16(27)22-10-9-13-5-3-2-4-6-13)15(11-12)23-19-25-17(20)24-18(21)26-19/h2-8,11H,9-10H2,1H3,(H,22,27)(H,23,24,25,26)
InChIKeyVQCGCZMDLPSHNG-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.20
Rot. Bonds6

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide

2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide (PubChem CID 139958644) has the molecular formula C19H17Cl2N5O and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide
PubChem CID139958644
Molecular FormulaC19H17Cl2N5O
Molecular Weight402.29 g/mol
Exact Mass401.08
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)c(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C19H17Cl2N5O/c1-12-7-8-14(16(27)22-10-9-13-5-3-2-4-6-13)15(11-12)23-19-25-17(20)24-18(21)26-19/h2-8,11H,9-10H2,1H3,(H,22,27)(H,23,24,25,26)
InChIKeyVQCGCZMDLPSHNG-UHFFFAOYSA-N
XLogP4.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-(3,3-Dimethylbutan-2-ylamino)-6-(3-methylbenzylamino)-1,3,5-triazin-2-ylamino)-N-methoxy-4-methylbenzamide
CID 42640798
4-[[[4-amino-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide
CID 20785858
N-(2-aminophenyl)-4-[[[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 20785863
4-methyl-3-(4-(methyl(2-phenylpropyl)amino)-6-((S)-pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821851
(S)-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821915
(S)-N-ethyl-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821916
(S)-N-benzyl-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821917
(S)-N-isopropyl-4-methyl-3-(4-(methyl(neopentyl)-amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-benzamide
CID 24821979
(S)-3-(4-(isobutylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-4-methylbenzamide
CID 44421260
(S)-3-(4-(isobutyl(methyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-4-methylbenzamide
CID 44421262
(S)-3-(4-(cyclohexyl(methyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-4-methylbenzamide
CID 44421263
(S)-N-cyclopentyl-4-methyl-3-(4-(methyl(neopentyl)-amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-benzamide
CID 44421270

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide (CID 139958644) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide is Cc1ccc(C(=O)NCCc2ccccc2)c(Nc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is VQCGCZMDLPSHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O/c1-12-7-8-14(16(27)22-10-9-13-5-3-2-4-6-13)15(11-12)23-19-25-17(20)24-18(21)26-19/h2-8,11H,9-10H2,1H3,(H,22,27)(H,23,24,25,26).
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 402.29 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 139958644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).