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

C5H7ClN4O — CID 14765433

IUPAC4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C5H7ClN4O/c1-7-4-8-3(6)9-5(10-4)11-2/h1-2H3,(H,7,8,9,10)
InChIKeySPJOTIACNJIMEO-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.58
Rot. Bonds2

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

4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 14765433) has the molecular formula C5H7ClN4O and a molecular weight of 174.59 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID14765433
Molecular FormulaC5H7ClN4O
Molecular Weight174.59 g/mol
Exact Mass174.03
IUPAC Name4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C5H7ClN4O/c1-7-4-8-3(6)9-5(10-4)11-2/h1-2H3,(H,7,8,9,10)
InChIKeySPJOTIACNJIMEO-UHFFFAOYSA-N
XLogP0.58
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 14765433) is 4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(OC)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is SPJOTIACNJIMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4O/c1-7-4-8-3(6)9-5(10-4)11-2/h1-2H3,(H,7,8,9,10).
What are the key properties of 4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 174.59 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 14765433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).