4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine

C16H14ClN5 — CID 71095075

IUPAC4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H14ClN5/c1-11-3-2-4-14(9-11)21-16-19-10-18-15(22-16)20-13-7-5-12(17)6-8-13/h2-10H,1H3,(H2,18,19,20,21,22)
InChIKeyGIOZYGNPMJNQAH-UHFFFAOYSA-N
MW311.78 g/mol
LogP4.32
Rot. Bonds4

About 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine

4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 71095075) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID71095075
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H14ClN5/c1-11-3-2-4-14(9-11)21-16-19-10-18-15(22-16)20-13-7-5-12(17)6-8-13/h2-10H,1H3,(H2,18,19,20,21,22)
InChIKeyGIOZYGNPMJNQAH-UHFFFAOYSA-N
XLogP4.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
N-[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 16755340
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
4-N-(3,4-dichlorophenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901934
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 123206456
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 141350801
4-[[4-chloro-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 59346269
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 71095075) is 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GIOZYGNPMJNQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c1-11-3-2-4-14(9-11)21-16-19-10-18-15(22-16)20-13-7-5-12(17)6-8-13/h2-10H,1H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 311.78 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71095075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).