2-butyl-4,6-dimethoxy-1,3,5-triazine

C9H15N3O2 — CID 162413738

IUPAC2-butyl-4,6-dimethoxy-1,3,5-triazine
SMILESCCCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H15N3O2/c1-4-5-6-7-10-8(13-2)12-9(11-7)14-3/h4-6H2,1-3H3
InChIKeyVRYMYUYSTHDSIT-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.23
Rot. Bonds5

About 2-butyl-4,6-dimethoxy-1,3,5-triazine

2-butyl-4,6-dimethoxy-1,3,5-triazine (PubChem CID 162413738) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-butyl-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-butyl-4,6-dimethoxy-1,3,5-triazine
PubChem CID162413738
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-butyl-4,6-dimethoxy-1,3,5-triazine
SMILESCCCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H15N3O2/c1-4-5-6-7-10-8(13-2)12-9(11-7)14-3/h4-6H2,1-3H3
InChIKeyVRYMYUYSTHDSIT-UHFFFAOYSA-N
XLogP1.23
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 69701
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
1,3,5-Triazine, 2,4-dimethoxy-6-methyl-
CID 19904
2-Ethyl-4,6-dimethoxy-1,3,5-triazine
CID 12809
2,4-Dimethoxy-6-propan-2-yl-1,3,5-triazine
CID 86053141
2,4-Dimethoxy-6-(2-methylpropyl)-1,3,5-triazine
CID 86053140
2,4-Dimethoxy-6-tetradecyl-1,3,5-triazine
CID 21024307
2-Ethyl-4-methoxy-6-methyl-1,3,5-triazine
CID 22082540
2,4,6-Tributyl-1,3,5-triazine
CID 20941
2,4-Dimethyl-6-propyl-1,3,5-triazine
CID 24206
2,4-Diethyl-6-methoxy-1,3,5-triazine
CID 91622538
2-Hex-1-ynyl-4,6-dimethoxy-1,3,5-triazine
CID 10585076

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-butyl-4,6-dimethoxy-1,3,5-triazine (CID 162413738) is 2-butyl-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-butyl-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-butyl-4,6-dimethoxy-1,3,5-triazine is CCCCc1nc(OC)nc(OC)n1.
What is the InChIKey of 2-butyl-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is VRYMYUYSTHDSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-5-6-7-10-8(13-2)12-9(11-7)14-3/h4-6H2,1-3H3.
What are the key properties of 2-butyl-4,6-dimethoxy-1,3,5-triazine?
2-butyl-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 197.24 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 162413738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).