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

C9H15ClN6O — CID 55125364

IUPACN-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H15ClN6O/c1-6(17)11-4-5-12-8-13-7(10)14-9(15-8)16(2)3/h4-5H2,1-3H3,(H,11,17)(H,12,13,14,15)
InChIKeyPIRDNKBMXPHPEI-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.14
Rot. Bonds5

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

N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide (PubChem CID 55125364) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
PubChem CID55125364
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC NameN-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H15ClN6O/c1-6(17)11-4-5-12-8-13-7(10)14-9(15-8)16(2)3/h4-5H2,1-3H3,(H,11,17)(H,12,13,14,15)
InChIKeyPIRDNKBMXPHPEI-UHFFFAOYSA-N
XLogP0.14
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide (CID 55125364) is N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The InChIKey is PIRDNKBMXPHPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6O/c1-6(17)11-4-5-12-8-13-7(10)14-9(15-8)16(2)3/h4-5H2,1-3H3,(H,11,17)(H,12,13,14,15).
What are the key properties of N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide has a molecular weight of 258.71 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 55125364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).