6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

C11H11Cl2N5 — CID 114256687

IUPAC6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C11H11Cl2N5/c1-6-5-7(12)3-4-8(6)15-11-17-9(13)16-10(14-2)18-11/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyDPPQGILIKRQSLS-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.27
Rot. Bonds3

About 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 114256687) has the molecular formula C11H11Cl2N5 and a molecular weight of 284.15 g/mol. Its IUPAC name is 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID114256687
Molecular FormulaC11H11Cl2N5
Molecular Weight284.15 g/mol
Exact Mass283.04
IUPAC Name6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C11H11Cl2N5/c1-6-5-7(12)3-4-8(6)15-11-17-9(13)16-10(14-2)18-11/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyDPPQGILIKRQSLS-UHFFFAOYSA-N
XLogP3.27
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 81271667
2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911093
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol
CID 101088452
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657
4-chloro-6-(4-chloro-2-methylphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80869238
4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114256694
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112930079
2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
CID 82290977
6-chloro-4-N-ethyl-2-N-(4-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762015
6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine
CID 107647067
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 114256687) is 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DPPQGILIKRQSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5/c1-6-5-7(12)3-4-8(6)15-11-17-9(13)16-10(14-2)18-11/h3-5H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 284.15 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114256687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).