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

C10H15ClN4O2 — CID 114184656

IUPACN-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESC=CCCOCCNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H15ClN4O2/c1-3-4-6-17-7-5-12-9-13-8(11)14-10(15-9)16-2/h3H,1,4-7H2,2H3,(H,12,13,14,15)
InChIKeyOMFRWZGLZQQGJF-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.54
Rot. Bonds8

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

N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 114184656) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
PubChem CID114184656
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC NameN-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESC=CCCOCCNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H15ClN4O2/c1-3-4-6-17-7-5-12-9-13-8(11)14-10(15-9)16-2/h3H,1,4-7H2,2H3,(H,12,13,14,15)
InChIKeyOMFRWZGLZQQGJF-UHFFFAOYSA-N
XLogP1.54
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.54
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (CID 114184656) is N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine is C=CCCOCCNc1nc(Cl)nc(OC)n1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is OMFRWZGLZQQGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-3-4-6-17-7-5-12-9-13-8(11)14-10(15-9)16-2/h3H,1,4-7H2,2H3,(H,12,13,14,15).
What are the key properties of N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
N-(2-but-3-enoxyethyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 258.71 g/mol, XLogP of 1.54, 8 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-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114184656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).