4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine

C8H12N4O2 — CID 2056933

IUPAC4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H12N4O2/c1-4-5-9-6-10-7(13-2)12-8(11-6)14-3/h4H,1,5H2,2-3H3,(H,9,10,11,12)
InChIKeyAAFBFEVZXLLFHZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.49
Rot. Bonds5

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

4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 2056933) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID2056933
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H12N4O2/c1-4-5-9-6-10-7(13-2)12-8(11-6)14-3/h4H,1,5H2,2-3H3,(H,9,10,11,12)
InChIKeyAAFBFEVZXLLFHZ-UHFFFAOYSA-N
XLogP0.49
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-6-methyl-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 657559
N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
Cambridge id 6807868
CID 35116
4,6-dimethoxy-N-propyl-1,3,5-triazin-2-amine
CID 2056051
Cambridge id 5304492
CID 2056339
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
2,4,6-Triallylamino-sym-triazine
CID 35080
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006212

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 2056933) is 4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(OC)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is AAFBFEVZXLLFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-4-5-9-6-10-7(13-2)12-8(11-6)14-3/h4H,1,5H2,2-3H3,(H,9,10,11,12).
What are the key properties of 4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 196.21 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2056933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).