2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol

C14H16N2O2 — CID 61241114

IUPAC2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol
SMILESCCCc1cc(Oc2cccc(O)c2C)ncn1
InChIInChI=1S/C14H16N2O2/c1-3-5-11-8-14(16-9-15-11)18-13-7-4-6-12(17)10(13)2/h4,6-9,17H,3,5H2,1-2H3
InChIKeyUHHZSITYDAUAJZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.24
Rot. Bonds4

About 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol

2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol (PubChem CID 61241114) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol.

Molecular Properties

Compound Name2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol
PubChem CID61241114
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol
SMILESCCCc1cc(Oc2cccc(O)c2C)ncn1
InChIInChI=1S/C14H16N2O2/c1-3-5-11-8-14(16-9-15-11)18-13-7-4-6-12(17)10(13)2/h4,6-9,17H,3,5H2,1-2H3
InChIKeyUHHZSITYDAUAJZ-UHFFFAOYSA-N
XLogP3.24
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol?
The IUPAC name of 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol (CID 61241114) is 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol.
What is the SMILES notation for 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol?
The canonical SMILES for 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol is CCCc1cc(Oc2cccc(O)c2C)ncn1.
What is the InChIKey of 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol?
The InChIKey is UHHZSITYDAUAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-5-11-8-14(16-9-15-11)18-13-7-4-6-12(17)10(13)2/h4,6-9,17H,3,5H2,1-2H3.
What are the key properties of 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol?
2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol has a molecular weight of 244.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol is sourced from PubChem (CID 61241114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).