2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine

C8H12ClN3O2 — CID 62858133

IUPAC2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OC(C)(C)C)n1
InChIInChI=1S/C8H12ClN3O2/c1-8(2,3)14-7-11-5(9)10-6(12-7)13-4/h1-4H3
InChIKeyHQKVYKZXMKGWLY-UHFFFAOYSA-N
MW217.66 g/mol
LogP1.71
Rot. Bonds2

About 2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine

2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine (PubChem CID 62858133) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine
PubChem CID62858133
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OC(C)(C)C)n1
InChIInChI=1S/C8H12ClN3O2/c1-8(2,3)14-7-11-5(9)10-6(12-7)13-4/h1-4H3
InChIKeyHQKVYKZXMKGWLY-UHFFFAOYSA-N
XLogP1.71
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2-(tert-Butyldioxy)-4,6-dimethoxy-1,3,5-triazine
CID 92682
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
4,6-Bis[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 172466536
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
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530
2,4,6-Tri(propan-2-yloxy)-1,3,5-triazine
CID 34531
2-Chloro-4,6-bis(propan-2-yloxy)-1,3,5-triazine
CID 35650
2,4,6-Tris(2-methylpropoxy)-1,3,5-triazine
CID 35675
2,4,6-Tri(butan-2-yloxy)-1,3,5-triazine
CID 139880843
2,4-Dichloro-6-(2-methylpropoxy)-1,3,5-triazine
CID 35625

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine (CID 62858133) is 2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine is COc1nc(Cl)nc(OC(C)(C)C)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine?
The InChIKey is HQKVYKZXMKGWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-8(2,3)14-7-11-5(9)10-6(12-7)13-4/h1-4H3.
What are the key properties of 2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine?
2-chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine has a molecular weight of 217.66 g/mol, XLogP of 1.71, 2 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-methylpropan-2-yl)oxy]-1,3,5-triazine is sourced from PubChem (CID 62858133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).