2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine

C12H20ClN3O3 — CID 55124098

IUPAC2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCCCCOCCOc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C12H20ClN3O3/c1-4-5-6-17-7-8-18-11-14-10(13)15-12(16-11)19-9(2)3/h9H,4-8H2,1-3H3
InChIKeyROVAHKFGFQLFJX-UHFFFAOYSA-N
MW289.76 g/mol
LogP2.51
Rot. Bonds9

About 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine

2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 55124098) has the molecular formula C12H20ClN3O3 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
PubChem CID55124098
Molecular FormulaC12H20ClN3O3
Molecular Weight289.76 g/mol
Exact Mass289.12
IUPAC Name2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCCCCOCCOc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C12H20ClN3O3/c1-4-5-6-17-7-8-18-11-14-10(13)15-12(16-11)19-9(2)3/h9H,4-8H2,1-3H3
InChIKeyROVAHKFGFQLFJX-UHFFFAOYSA-N
XLogP2.51
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
CID 87430180
2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 107751046
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
CID 62859308
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
CID 62857809
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
CID 79679199
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80842496
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176504
4-(2-butoxyethoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80861104

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (CID 55124098) is 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is CCCCOCCOc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is ROVAHKFGFQLFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3/c1-4-5-6-17-7-8-18-11-14-10(13)15-12(16-11)19-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 289.76 g/mol, XLogP of 2.51, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 55124098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).