4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine

C7H12N4O — CID 79604732

IUPAC4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCOC(C)c1nc(C)nc(N)n1
InChIInChI=1S/C7H12N4O/c1-4(12-3)6-9-5(2)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyBZKPHLUHUYYZQH-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.47
Rot. Bonds2

About 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine

4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 79604732) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID79604732
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCOC(C)c1nc(C)nc(N)n1
InChIInChI=1S/C7H12N4O/c1-4(12-3)6-9-5(2)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyBZKPHLUHUYYZQH-UHFFFAOYSA-N
XLogP0.47
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine (CID 79604732) is 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine is COC(C)c1nc(C)nc(N)n1.
What is the InChIKey of 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is BZKPHLUHUYYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4(12-3)6-9-5(2)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11).
What are the key properties of 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine?
4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 168.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79604732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).