N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine

C11H17ClN4O2 — CID 114184793

IUPACN-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
SMILESC=CCCOCCNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C11H17ClN4O2/c1-3-5-7-17-8-6-13-10-14-9(12)15-11(16-10)18-4-2/h3H,1,4-8H2,2H3,(H,13,14,15,16)
InChIKeyBCNISBHSVZDZFB-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.93
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine

N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 114184793) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID114184793
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC NameN-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
SMILESC=CCCOCCNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C11H17ClN4O2/c1-3-5-7-17-8-6-13-10-14-9(12)15-11(16-10)18-4-2/h3H,1,4-8H2,2H3,(H,13,14,15,16)
InChIKeyBCNISBHSVZDZFB-UHFFFAOYSA-N
XLogP1.93
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine 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

4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 23310878
4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 89167772
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 23787663
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23816463
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 23984748
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 24012589
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 24095112
N-(2-butoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 62858394
N-(2-butoxyethyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 62862958
4-chloro-N-(2-ethoxyethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864751
4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844458
4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80860968

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine (CID 114184793) is N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine is C=CCCOCCNc1nc(Cl)nc(OCC)n1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is BCNISBHSVZDZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-3-5-7-17-8-6-13-10-14-9(12)15-11(16-10)18-4-2/h3H,1,4-8H2,2H3,(H,13,14,15,16).
What are the key properties of N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 272.74 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114184793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).