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

C7H11ClN4O — CID 23338142

IUPAC4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C7H11ClN4O/c1-4-13-7-10-5(8)9-6(11-7)12(2)3/h4H2,1-3H3
InChIKeyRRYMNVKVNNTFAQ-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.99
Rot. Bonds3

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

4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 23338142) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID23338142
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C7H11ClN4O/c1-4-13-7-10-5(8)9-6(11-7)12(2)3/h4H2,1-3H3
InChIKeyRRYMNVKVNNTFAQ-UHFFFAOYSA-N
XLogP0.99
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine (CID 23338142) is 4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is RRYMNVKVNNTFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-4-13-7-10-5(8)9-6(11-7)12(2)3/h4H2,1-3H3.
What are the key properties of 4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 202.64 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23338142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).