6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C7H12ClN5O — CID 766317

IUPAC6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCON(C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C7H12ClN5O/c1-12(2)6-9-5(8)10-7(11-6)13(3)14-4/h1-4H3
InChIKeyHJEXHXBABNLCKO-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.59
Rot. Bonds3

About 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 766317) has the molecular formula C7H12ClN5O and a molecular weight of 217.66 g/mol. Its IUPAC name is 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID766317
Molecular FormulaC7H12ClN5O
Molecular Weight217.66 g/mol
Exact Mass217.07
IUPAC Name6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCON(C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C7H12ClN5O/c1-12(2)6-9-5(8)10-7(11-6)13(3)14-4/h1-4H3
InChIKeyHJEXHXBABNLCKO-UHFFFAOYSA-N
XLogP0.59
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N2,N2,N4,N4-Tetramethyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 541518
s-Triazine, 4,6-dichloro-2-(N-methoxy-N-methylamino)-
CID 97122
1,3,5-Triazine-2,4-diamine, 6-((dimethylamino)oxy)-N,N,N',N'-tetramethyl-
CID 11971486
[1,3,5]Triazine-2,4-diamine, 6-methoxy-N,N,N',N'-tetramethyl-
CID 765383
2,4,6-Tris(methoxy(methyl)amino)-1,3,5-triazine
CID 379202
4-Methoxy-2,3,5-triazine
CID 46191705
4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 26319
2-Dimethylamino-4,6-dimethoxy-s-triazine
CID 12525922
4,6-Dimethoxy-N,N,N-trimethyl-1,3,5-triazin-2-aminium chloride
CID 13141331
2-Chloro-4,6-bis(methoxy(methyl)amino)-1,3,5-triazine
CID 267533
4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine
CID 150300135
6-chloro-2-N-(difluoromethoxy)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 152013290

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 766317) is 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CON(C)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HJEXHXBABNLCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5O/c1-12(2)6-9-5(8)10-7(11-6)13(3)14-4/h1-4H3.
What are the key properties of 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 217.66 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methoxy-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 766317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).