2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide

C7H9Cl2N5O — CID 62870615

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N5O/c1-3(4(15)10-2)11-7-13-5(8)12-6(9)14-7/h3H,1-2H3,(H,10,15)(H,11,12,13,14)
InChIKeyAZNOTRBIBJNYRZ-UHFFFAOYSA-N
MW250.09 g/mol
LogP0.72
Rot. Bonds3

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide

2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (PubChem CID 62870615) has the molecular formula C7H9Cl2N5O and a molecular weight of 250.09 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
PubChem CID62870615
Molecular FormulaC7H9Cl2N5O
Molecular Weight250.09 g/mol
Exact Mass249.02
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N5O/c1-3(4(15)10-2)11-7-13-5(8)12-6(9)14-7/h3H,1-2H3,(H,10,15)(H,11,12,13,14)
InChIKeyAZNOTRBIBJNYRZ-UHFFFAOYSA-N
XLogP0.72
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (CID 62870615) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The InChIKey is AZNOTRBIBJNYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N5O/c1-3(4(15)10-2)11-7-13-5(8)12-6(9)14-7/h3H,1-2H3,(H,10,15)(H,11,12,13,14).
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide has a molecular weight of 250.09 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 62870615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).