4,6-dimethoxy-1,3,5-triazin-2-amine

C5H8N4O2 — CID 27840

IUPAC4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OC)n1
InChIInChI=1S/C5H8N4O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,(H2,6,7,8,9)
InChIKeyKVHFZZUPCXCRIX-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.53
Rot. Bonds2

About 4,6-dimethoxy-1,3,5-triazin-2-amine

4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 27840) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID27840
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OC)n1
InChIInChI=1S/C5H8N4O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,(H2,6,7,8,9)
InChIKeyKVHFZZUPCXCRIX-UHFFFAOYSA-N
XLogP-0.53
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-1,3,5-triazin-2-amine (CID 27840) is 4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is KVHFZZUPCXCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,(H2,6,7,8,9).
What are the key properties of 4,6-dimethoxy-1,3,5-triazin-2-amine?
4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 156.15 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 27840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).