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

C11H18ClN5O2 — CID 55125277

IUPAC2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCC(C)Oc1nc(Cl)nc(NC(C)C(=O)N(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-6(2)19-11-15-9(12)14-10(16-11)13-7(3)8(18)17(4)5/h6-7H,1-5H3,(H,13,14,15,16)
InChIKeyFEYSLMHNEQQEEH-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.20
Rot. Bonds5

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

2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 55125277) 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,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID55125277
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,N-dimethylpropanamide
SMILESCC(C)Oc1nc(Cl)nc(NC(C)C(=O)N(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-6(2)19-11-15-9(12)14-10(16-11)13-7(3)8(18)17(4)5/h6-7H,1-5H3,(H,13,14,15,16)
InChIKeyFEYSLMHNEQQEEH-UHFFFAOYSA-N
XLogP1.20
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.20
H-Bond Donors ≤ 51
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,N-dimethylpropanamide?
The IUPAC name of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide (CID 55125277) is 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide is CC(C)Oc1nc(Cl)nc(NC(C)C(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is FEYSLMHNEQQEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-6(2)19-11-15-9(12)14-10(16-11)13-7(3)8(18)17(4)5/h6-7H,1-5H3,(H,13,14,15,16).
What are the key properties of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 287.75 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 55125277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).