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

C16H18ClN3O — CID 114606768

IUPAC2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-c2ccccc2C2CCC2)n1
InChIInChI=1S/C16H18ClN3O/c1-10(2)21-16-19-14(18-15(17)20-16)13-9-4-3-8-12(13)11-6-5-7-11/h3-4,8-11H,5-7H2,1-2H3
InChIKeyQVIWXMDKGOFEFP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.25
Rot. Bonds4

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

2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 114606768) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID114606768
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-c2ccccc2C2CCC2)n1
InChIInChI=1S/C16H18ClN3O/c1-10(2)21-16-19-14(18-15(17)20-16)13-9-4-3-8-12(13)11-6-5-7-11/h3-4,8-11H,5-7H2,1-2H3
InChIKeyQVIWXMDKGOFEFP-UHFFFAOYSA-N
XLogP4.25
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106646719
2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 103434463
2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
CID 62869608
2-chloro-6-(2-cyclobutylphenyl)pyridine
CID 114606707
(1R)-1-[2-(2-cyclobutylphenyl)phenyl]ethanol
CID 71129039
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319615
2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 115504443
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 114734361
2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62868053
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
CID 64745938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine (CID 114606768) is 2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(-c2ccccc2C2CCC2)n1.
What is the InChIKey of 2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is QVIWXMDKGOFEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(2)21-16-19-14(18-15(17)20-16)13-9-4-3-8-12(13)11-6-5-7-11/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of 2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 303.79 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 114606768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).