6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

C10H10ClN5 — CID 840843

IUPAC6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C10H10ClN5/c1-12-9-14-8(11)15-10(16-9)13-7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,14,15,16)
InChIKeyKUEPSUSMVBMYAG-UHFFFAOYSA-N
MW235.68 g/mol
LogP2.31
Rot. Bonds3

About 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 840843) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID840843
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C10H10ClN5/c1-12-9-14-8(11)15-10(16-9)13-7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,14,15,16)
InChIKeyKUEPSUSMVBMYAG-UHFFFAOYSA-N
XLogP2.31
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Anilazine
CID 7541
Chlorazanil
CID 10374
Amanozine
CID 10832
Melarsen oxide
CID 30830
Melarsomine Dihydrochloride
CID 123720
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34942
Melarsomine
CID 65962
N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
CID 9714
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
Stk064997
CID 778562
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 840843) is 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KUEPSUSMVBMYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-12-9-14-8(11)15-10(16-9)13-7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 235.68 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 840843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).