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

C10H17ClN6O — CID 62863290

IUPAC3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C10H17ClN6O/c1-16(2)7(18)5-6-12-9-13-8(11)14-10(15-9)17(3)4/h5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyLNWXDOOWHBURAO-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.48
Rot. Bonds5

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

3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide (PubChem CID 62863290) has the molecular formula C10H17ClN6O and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
PubChem CID62863290
Molecular FormulaC10H17ClN6O
Molecular Weight272.74 g/mol
Exact Mass272.12
IUPAC Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C10H17ClN6O/c1-16(2)7(18)5-6-12-9-13-8(11)14-10(15-9)17(3)4/h5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyLNWXDOOWHBURAO-UHFFFAOYSA-N
XLogP0.48
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide (CID 62863290) is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is LNWXDOOWHBURAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN6O/c1-16(2)7(18)5-6-12-9-13-8(11)14-10(15-9)17(3)4/h5-6H2,1-4H3,(H,12,13,14,15).
What are the key properties of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 272.74 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 62863290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).