2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide

C11H18ClN5O2 — CID 55125371

IUPAC2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-13-8(18)7(4)14-10-15-9(12)16-11(17-10)19-6(2)3/h6-7H,5H2,1-4H3,(H,13,18)(H,14,15,16,17)
InChIKeyACVFJQOTZGTWBO-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.25
Rot. Bonds6

About 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide

2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide (PubChem CID 55125371) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide
PubChem CID55125371
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-13-8(18)7(4)14-10-15-9(12)16-11(17-10)19-6(2)3/h6-7H,5H2,1-4H3,(H,13,18)(H,14,15,16,17)
InChIKeyACVFJQOTZGTWBO-UHFFFAOYSA-N
XLogP1.25
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide (CID 55125371) is 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide?
The InChIKey is ACVFJQOTZGTWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-5-13-8(18)7(4)14-10-15-9(12)16-11(17-10)19-6(2)3/h6-7H,5H2,1-4H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide?
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide has a molecular weight of 287.75 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 55125371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).