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

C5H8ClN5O — CID 119092780

IUPAC6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NOC)n1
InChIInChI=1S/C5H8ClN5O/c1-7-4-8-3(6)9-5(10-4)11-12-2/h1-2H3,(H2,7,8,9,10,11)
InChIKeyFOUIYEDWNPVLOW-UHFFFAOYSA-N
MW189.61 g/mol
LogP0.54
Rot. Bonds3

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

6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 119092780) has the molecular formula C5H8ClN5O and a molecular weight of 189.61 g/mol. Its IUPAC name is 6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID119092780
Molecular FormulaC5H8ClN5O
Molecular Weight189.61 g/mol
Exact Mass189.04
IUPAC Name6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NOC)n1
InChIInChI=1S/C5H8ClN5O/c1-7-4-8-3(6)9-5(10-4)11-12-2/h1-2H3,(H2,7,8,9,10,11)
InChIKeyFOUIYEDWNPVLOW-UHFFFAOYSA-N
XLogP0.54
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
4,6-dichloro-N-methoxypyrimidin-2-amine
CID 19103931
6-chloro-2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80749339
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-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine
CID 115565288
6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081927
phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate
CID 174351013
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009564
6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylazanide;bis(yttrium)
CID 59966378
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate
CID 174669762

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 119092780) is 6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NOC)n1.
What is the InChIKey of 6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FOUIYEDWNPVLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN5O/c1-7-4-8-3(6)9-5(10-4)11-12-2/h1-2H3,(H2,7,8,9,10,11).
What are the key properties of 6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 189.61 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 119092780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).