4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

C6H9ClN4O — CID 26319

IUPAC4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C6H9ClN4O/c1-11(2)5-8-4(7)9-6(10-5)12-3/h1-3H3
InChIKeyGPZJPODLTKLYNX-UHFFFAOYSA-N
MW188.62 g/mol
LogP0.60
Rot. Bonds2

About 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 26319) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID26319
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C6H9ClN4O/c1-11(2)5-8-4(7)9-6(10-5)12-3/h1-3H3
InChIKeyGPZJPODLTKLYNX-UHFFFAOYSA-N
XLogP0.60
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (CID 26319) is 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is GPZJPODLTKLYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O/c1-11(2)5-8-4(7)9-6(10-5)12-3/h1-3H3.
What are the key properties of 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 188.62 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 26319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).