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

C9H14ClN5O2 — CID 62858150

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCOc1nc(Cl)nc(NC(C)C(=O)N(C)C)n1
InChIInChI=1S/C9H14ClN5O2/c1-5(6(16)15(2)3)11-8-12-7(10)13-9(14-8)17-4/h5H,1-4H3,(H,11,12,13,14)
InChIKeyUHERAFVGNJVQKY-UHFFFAOYSA-N
MW259.70 g/mol
LogP0.42
Rot. Bonds4

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 62858150) has the molecular formula C9H14ClN5O2 and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID62858150
Molecular FormulaC9H14ClN5O2
Molecular Weight259.70 g/mol
Exact Mass259.08
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCOc1nc(Cl)nc(NC(C)C(=O)N(C)C)n1
InChIInChI=1S/C9H14ClN5O2/c1-5(6(16)15(2)3)11-8-12-7(10)13-9(14-8)17-4/h5H,1-4H3,(H,11,12,13,14)
InChIKeyUHERAFVGNJVQKY-UHFFFAOYSA-N
XLogP0.42
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 50.42
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-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide (CID 62858150) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide is COc1nc(Cl)nc(NC(C)C(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is UHERAFVGNJVQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O2/c1-5(6(16)15(2)3)11-8-12-7(10)13-9(14-8)17-4/h5H,1-4H3,(H,11,12,13,14).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 259.70 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 62858150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).