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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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).