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

C15H18ClN3O2 — CID 103434463

IUPAC2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCOc1c(-c2nc(Cl)nc(OC(C)C)n2)ccc(C)c1C
InChIInChI=1S/C15H18ClN3O2/c1-8(2)21-15-18-13(17-14(16)19-15)11-7-6-9(3)10(4)12(11)20-5/h6-8H,1-5H3
InChIKeyYEJMQYKIXYUNJD-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.60
Rot. Bonds4

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

2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 103434463) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID103434463
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCOc1c(-c2nc(Cl)nc(OC(C)C)n2)ccc(C)c1C
InChIInChI=1S/C15H18ClN3O2/c1-8(2)21-15-18-13(17-14(16)19-15)11-7-6-9(3)10(4)12(11)20-5/h6-8H,1-5H3
InChIKeyYEJMQYKIXYUNJD-UHFFFAOYSA-N
XLogP3.60
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2-methoxy-3,4-dimethylphenyl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 103434427
2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106646719
2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 114606768
2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 115504443
2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine
CID 66279714
2,4-dichloro-6-(4-methylnaphthalen-1-yl)-1,3,5-triazine
CID 71361703
2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine
CID 102838231
4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864106
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine
CID 103434429
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82802523
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 63402170

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine (CID 103434463) is 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine is COc1c(-c2nc(Cl)nc(OC(C)C)n2)ccc(C)c1C.
What is the InChIKey of 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is YEJMQYKIXYUNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-8(2)21-15-18-13(17-14(16)19-15)11-7-6-9(3)10(4)12(11)20-5/h6-8H,1-5H3.
What are the key properties of 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 307.78 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 103434463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).