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

C13H23N7O — CID 80775624

IUPACN-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide
SMILESCCNc1nc(NCCNC(C)=O)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7O/c1-3-14-11-17-12(16-7-6-15-10(2)21)19-13(18-11)20-8-4-5-9-20/h3-9H2,1-2H3,(H,15,21)(H2,14,16,17,18,19)
InChIKeyOZMAPRLOWGEOTI-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.45
Rot. Bonds7

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

N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide (PubChem CID 80775624) has the molecular formula C13H23N7O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide
PubChem CID80775624
Molecular FormulaC13H23N7O
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide
SMILESCCNc1nc(NCCNC(C)=O)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7O/c1-3-14-11-17-12(16-7-6-15-10(2)21)19-13(18-11)20-8-4-5-9-20/h3-9H2,1-2H3,(H,15,21)(H2,14,16,17,18,19)
InChIKeyOZMAPRLOWGEOTI-UHFFFAOYSA-N
XLogP0.45
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
2-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80802003
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide
CID 80794641
2-N-(2-ethoxyethyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775050
4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 672103
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide
CID 106179049
N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788350
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80790722
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide (CID 80775624) is N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide is CCNc1nc(NCCNC(C)=O)nc(N2CCCC2)n1.
What is the InChIKey of N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The InChIKey is OZMAPRLOWGEOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-3-14-11-17-12(16-7-6-15-10(2)21)19-13(18-11)20-8-4-5-9-20/h3-9H2,1-2H3,(H,15,21)(H2,14,16,17,18,19).
What are the key properties of N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 80775624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).