4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine

C15H16N2O — CID 133342660

IUPAC4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
SMILESCc1ccnc(Oc2cccc3c2CCCC3)n1
InChIInChI=1S/C15H16N2O/c1-11-9-10-16-15(17-11)18-14-8-4-6-12-5-2-3-7-13(12)14/h4,6,8-10H,2-3,5,7H2,1H3
InChIKeyWRNZSXIMNBGITO-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.46
Rot. Bonds2

About 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine

4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine (PubChem CID 133342660) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
PubChem CID133342660
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
SMILESCc1ccnc(Oc2cccc3c2CCCC3)n1
InChIInChI=1S/C15H16N2O/c1-11-9-10-16-15(17-11)18-14-8-4-6-12-5-2-3-7-13(12)14/h4,6,8-10H,2-3,5,7H2,1H3
InChIKeyWRNZSXIMNBGITO-UHFFFAOYSA-N
XLogP3.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine?
The IUPAC name of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine (CID 133342660) is 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine.
What is the SMILES notation for 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine?
The canonical SMILES for 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine is Cc1ccnc(Oc2cccc3c2CCCC3)n1.
What is the InChIKey of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine?
The InChIKey is WRNZSXIMNBGITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-9-10-16-15(17-11)18-14-8-4-6-12-5-2-3-7-13(12)14/h4,6,8-10H,2-3,5,7H2,1H3.
What are the key properties of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine?
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine has a molecular weight of 240.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine is sourced from PubChem (CID 133342660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).