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

C8H11ClN4O — CID 15926245

IUPAC4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C8H11ClN4O/c1-4-5-14-8-11-6(9)10-7(12-8)13(2)3/h4H,1,5H2,2-3H3
InChIKeyWTIDOSXGMXIJCB-UHFFFAOYSA-N
MW214.66 g/mol
LogP1.16
Rot. Bonds4

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

4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 15926245) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID15926245
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C8H11ClN4O/c1-4-5-14-8-11-6(9)10-7(12-8)13(2)3/h4H,1,5H2,2-3H3
InChIKeyWTIDOSXGMXIJCB-UHFFFAOYSA-N
XLogP1.16
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 15926245) is 4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is WTIDOSXGMXIJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c1-4-5-14-8-11-6(9)10-7(12-8)13(2)3/h4H,1,5H2,2-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 214.66 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 15926245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).