2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine

C16H18N2O — CID 170633566

IUPAC2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine
SMILESCc1cccc(C2CCOCC2)c1-c1ncccn1
InChIInChI=1S/C16H18N2O/c1-12-4-2-5-14(13-6-10-19-11-7-13)15(12)16-17-8-3-9-18-16/h2-5,8-9,13H,6-7,10-11H2,1H3
InChIKeyYOSAEYRVDIWLKF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.35
Rot. Bonds2

About 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine

2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine (PubChem CID 170633566) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine
PubChem CID170633566
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine
SMILESCc1cccc(C2CCOCC2)c1-c1ncccn1
InChIInChI=1S/C16H18N2O/c1-12-4-2-5-14(13-6-10-19-11-7-13)15(12)16-17-8-3-9-18-16/h2-5,8-9,13H,6-7,10-11H2,1H3
InChIKeyYOSAEYRVDIWLKF-UHFFFAOYSA-N
XLogP3.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine?
The IUPAC name of 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine (CID 170633566) is 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine?
The canonical SMILES for 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine is Cc1cccc(C2CCOCC2)c1-c1ncccn1.
What is the InChIKey of 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine?
The InChIKey is YOSAEYRVDIWLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-4-2-5-14(13-6-10-19-11-7-13)15(12)16-17-8-3-9-18-16/h2-5,8-9,13H,6-7,10-11H2,1H3.
What are the key properties of 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine?
2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine has a molecular weight of 254.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(oxan-4-yl)phenyl]pyrimidine is sourced from PubChem (CID 170633566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).