2-chloro-4-methoxy-6-methyl-1,3,5-triazine

C5H6ClN3O — CID 19392079

IUPAC2-chloro-4-methoxy-6-methyl-1,3,5-triazine
SMILESCOc1nc(C)nc(Cl)n1
InChIInChI=1S/C5H6ClN3O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3
InChIKeyCZBLSKDQSIAVRE-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.84
Rot. Bonds1

About 2-chloro-4-methoxy-6-methyl-1,3,5-triazine

2-chloro-4-methoxy-6-methyl-1,3,5-triazine (PubChem CID 19392079) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-methyl-1,3,5-triazine
PubChem CID19392079
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name2-chloro-4-methoxy-6-methyl-1,3,5-triazine
SMILESCOc1nc(C)nc(Cl)n1
InChIInChI=1S/C5H6ClN3O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3
InChIKeyCZBLSKDQSIAVRE-UHFFFAOYSA-N
XLogP0.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-methoxy-6-methyl-1,3,5-triazine
CID 15466
1,3,5-Triazin-2-amine, 4-(chloromethyl)-6-methoxy-
CID 120588
2,4-Dichloro-6-methyl-1,3,5-triazine
CID 16083
4-Chloro-6-methyl-1,3,5-triazin-2-amine
CID 30591
2-Methoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine
CID 35573
1,3,5-Triazine, 2,4-dimethoxy-6-methyl-
CID 19904
2-Ethyl-4,6-dimethoxy-1,3,5-triazine
CID 12809
2-Methoxy-4,6-dimethyl-1,3,5-triazine
CID 19197
2-(Chloromethyl)-4,6-dimethoxy-1,3,5-triazine
CID 35567
2-Chloro-4,6-dimethyl-1,3,5-triazine
CID 35658
2-Ethyl-4-methoxy-6-methyl-1,3,5-triazine
CID 22082540
2-Chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 20702269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-methyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-methyl-1,3,5-triazine (CID 19392079) is 2-chloro-4-methoxy-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-methyl-1,3,5-triazine is COc1nc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-methyl-1,3,5-triazine?
The InChIKey is CZBLSKDQSIAVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3.
What are the key properties of 2-chloro-4-methoxy-6-methyl-1,3,5-triazine?
2-chloro-4-methoxy-6-methyl-1,3,5-triazine has a molecular weight of 159.58 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-methyl-1,3,5-triazine is sourced from PubChem (CID 19392079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).