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

C10H5ClF5N5 — CID 115565288

IUPAC6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C10H5ClF5N5/c1-17-9-19-8(11)20-10(21-9)18-7-5(15)3(13)2(12)4(14)6(7)16/h1H3,(H2,17,18,19,20,21)
InChIKeySKVOFJHYEUSPML-UHFFFAOYSA-N
MW325.63 g/mol
LogP3.01
Rot. Bonds3

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

6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 115565288) has the molecular formula C10H5ClF5N5 and a molecular weight of 325.63 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID115565288
Molecular FormulaC10H5ClF5N5
Molecular Weight325.63 g/mol
Exact Mass325.02
IUPAC Name6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C10H5ClF5N5/c1-17-9-19-8(11)20-10(21-9)18-7-5(15)3(13)2(12)4(14)6(7)16/h1H3,(H2,17,18,19,20,21)
InChIKeySKVOFJHYEUSPML-UHFFFAOYSA-N
XLogP3.01
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.63
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-N-methyl-2-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazine-2,4-diamine
CID 107647067
6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081927
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
6-chloro-2-N-(3-fluoro-2-iodophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114261691
6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 119092780
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081294
2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 154732087
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
6-chloro-4-N-methyl-2-N-[2-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 80768863
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine (CID 115565288) is 6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SKVOFJHYEUSPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF5N5/c1-17-9-19-8(11)20-10(21-9)18-7-5(15)3(13)2(12)4(14)6(7)16/h1H3,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 325.63 g/mol, XLogP of 3.01, 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-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115565288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).