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

C10H15Cl2N5O — CID 62868725

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H15Cl2N5O/c1-4-5-17(6-7(18)16(2)3)10-14-8(11)13-9(12)15-10/h4-6H2,1-3H3
InChIKeyTZVCUVHHJNWIMD-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.48
Rot. Bonds5

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

2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide (PubChem CID 62868725) has the molecular formula C10H15Cl2N5O and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide
PubChem CID62868725
Molecular FormulaC10H15Cl2N5O
Molecular Weight292.17 g/mol
Exact Mass291.07
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H15Cl2N5O/c1-4-5-17(6-7(18)16(2)3)10-14-8(11)13-9(12)15-10/h4-6H2,1-3H3
InChIKeyTZVCUVHHJNWIMD-UHFFFAOYSA-N
XLogP1.48
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.48
H-Bond Donors ≤ 50
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)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide (CID 62868725) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is TZVCUVHHJNWIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N5O/c1-4-5-17(6-7(18)16(2)3)10-14-8(11)13-9(12)15-10/h4-6H2,1-3H3.
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 292.17 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 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)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62868725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).