4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine

C10H8Cl2N4 — CID 768151

IUPAC4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H8Cl2N4/c1-6-3-2-4-7(5-6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16)
InChIKeyPFXOXPWDWFPCOT-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.23
Rot. Bonds2

About 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 768151) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID768151
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H8Cl2N4/c1-6-3-2-4-7(5-6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16)
InChIKeyPFXOXPWDWFPCOT-UHFFFAOYSA-N
XLogP3.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
4-[[4-chloro-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 59346269
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
CID 613301
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 170875456
6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 118715065
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
[3-[[4-(3-boronoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]boronic acid
CID 132915588

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine (CID 768151) is 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine is Cc1cccc(Nc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is PFXOXPWDWFPCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c1-6-3-2-4-7(5-6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16).
What are the key properties of 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 255.11 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 768151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).