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

C8H12N4 — CID 23310889

IUPAC4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(C)nc(C)n1
InChIInChI=1S/C8H12N4/c1-4-5-9-8-11-6(2)10-7(3)12-8/h4H,1,5H2,2-3H3,(H,9,10,11,12)
InChIKeyVDNSQUQBNFJHKP-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.09
Rot. Bonds3

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

4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 23310889) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID23310889
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(C)nc(C)n1
InChIInChI=1S/C8H12N4/c1-4-5-9-8-11-6(2)10-7(3)12-8/h4H,1,5H2,2-3H3,(H,9,10,11,12)
InChIKeyVDNSQUQBNFJHKP-UHFFFAOYSA-N
XLogP1.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 23310889) is 4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(C)nc(C)n1.
What is the InChIKey of 4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is VDNSQUQBNFJHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-4-5-9-8-11-6(2)10-7(3)12-8/h4H,1,5H2,2-3H3,(H,9,10,11,12).
What are the key properties of 4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 164.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23310889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).