4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine

C11H19ClN4O — CID 55124321

IUPAC4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCN(c1nc(Cl)nc(OCC)n1)C(C)C
InChIInChI=1S/C11H19ClN4O/c1-5-7-16(8(3)4)10-13-9(12)14-11(15-10)17-6-2/h8H,5-7H2,1-4H3
InChIKeyFWJYKCSQYRYRJD-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.55
Rot. Bonds6

About 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 55124321) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine
PubChem CID55124321
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCN(c1nc(Cl)nc(OCC)n1)C(C)C
InChIInChI=1S/C11H19ClN4O/c1-5-7-16(8(3)4)10-13-9(12)14-11(15-10)17-6-2/h8H,5-7H2,1-4H3
InChIKeyFWJYKCSQYRYRJD-UHFFFAOYSA-N
XLogP2.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine (CID 55124321) is 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine is CCCN(c1nc(Cl)nc(OCC)n1)C(C)C.
What is the InChIKey of 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is FWJYKCSQYRYRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-5-7-16(8(3)4)10-13-9(12)14-11(15-10)17-6-2/h8H,5-7H2,1-4H3.
What are the key properties of 4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 258.75 g/mol, XLogP of 2.55, 6 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-propan-2-yl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).