2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine

C9H14ClN3O2 — CID 62858135

IUPAC2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine
SMILESCCC(C)(C)Oc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H14ClN3O2/c1-5-9(2,3)15-8-12-6(10)11-7(13-8)14-4/h5H2,1-4H3
InChIKeyUXFADWBUWDRWGI-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.10
Rot. Bonds4

About 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine

2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine (PubChem CID 62858135) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine
PubChem CID62858135
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine
SMILESCCC(C)(C)Oc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H14ClN3O2/c1-5-9(2,3)15-8-12-6(10)11-7(13-8)14-4/h5H2,1-4H3
InChIKeyUXFADWBUWDRWGI-UHFFFAOYSA-N
XLogP2.10
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-Butyldioxy)-4,6-dimethoxy-1,3,5-triazine
CID 92682
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4-Bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine
CID 12735844
1,3,5-Triazine, 2,4,6-tris(1,1-dimethylethoxy)-
CID 231873
2-Chloro-4,6-bis(propan-2-yloxy)-1,3,5-triazine
CID 35650
2,4-Dichloro-6-(3-methylbutoxy)-1,3,5-triazine
CID 62859406
2-Chloro-4-ethoxy-6-methoxy-1,3,5-triazine
CID 19010699
2-(Tert-butoxy)-4,6-dichloro-1,3,5-triazine
CID 20145663
2-Chloro-4,6-dipropoxy-1,3,5-triazine
CID 22227779
2,4-Dibutoxy-6-chloro-1,3,5-triazine
CID 22590452
2-Chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine
CID 22590466
2,4-Dichloro-6-(2,2-dimethylpropoxy)-1,3,5-triazine
CID 58543777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine (CID 62858135) is 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine is CCC(C)(C)Oc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine?
The InChIKey is UXFADWBUWDRWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-5-9(2,3)15-8-12-6(10)11-7(13-8)14-4/h5H2,1-4H3.
What are the key properties of 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine?
2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine has a molecular weight of 231.68 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 62858135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).