2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine

C8H13N3O2 — CID 86053141

IUPAC2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine
SMILESCOc1nc(OC)nc(C(C)C)n1
InChIInChI=1S/C8H13N3O2/c1-5(2)6-9-7(12-3)11-8(10-6)13-4/h5H,1-4H3
InChIKeyHMMYPJLBLAZZBC-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.01
Rot. Bonds3

About 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine

2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine (PubChem CID 86053141) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine
PubChem CID86053141
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine
SMILESCOc1nc(OC)nc(C(C)C)n1
InChIInChI=1S/C8H13N3O2/c1-5(2)6-9-7(12-3)11-8(10-6)13-4/h5H,1-4H3
InChIKeyHMMYPJLBLAZZBC-UHFFFAOYSA-N
XLogP1.01
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.01
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
4-Cyclopropyl-6-methoxy-1,3,5-triazin-2-amine
CID 2726591
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
2-(3,3-Dimethylbut-1-ynyl)-4,6-dimethoxy-1,3,5-triazine
CID 405235
2,4,6-Triethyltriazine
CID 13889
1,3,5-Triazine, 2,4-dimethoxy-6-methyl-
CID 19904
4-Tert-butyl-6-methoxy-1,3,5-triazin-2-amine
CID 698866
2-Ethyl-4,6-dimethoxy-1,3,5-triazine
CID 12809
2,4,6-Tri(propan-2-yl)-1,3,5-triazine
CID 32829
2-Chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine
CID 87676010
2,4-Dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine
CID 86053139
2,4-Dimethoxy-6-(2-methylpropyl)-1,3,5-triazine
CID 86053140

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine (CID 86053141) is 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine is COc1nc(OC)nc(C(C)C)n1.
What is the InChIKey of 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine?
The InChIKey is HMMYPJLBLAZZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)6-9-7(12-3)11-8(10-6)13-4/h5H,1-4H3.
What are the key properties of 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine?
2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine has a molecular weight of 183.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 86053141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).