2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol

C14H16N2O2 — CID 781257

IUPAC2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol
SMILESCc1cc(OC(C)C)nc(-c2ccccc2O)n1
InChIInChI=1S/C14H16N2O2/c1-9(2)18-13-8-10(3)15-14(16-13)11-6-4-5-7-12(11)17/h4-9,17H,1-3H3
InChIKeyYMNZGCSITVSXJG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.94
Rot. Bonds3

About 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol

2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol (PubChem CID 781257) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol
PubChem CID781257
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol
SMILESCc1cc(OC(C)C)nc(-c2ccccc2O)n1
InChIInChI=1S/C14H16N2O2/c1-9(2)18-13-8-10(3)15-14(16-13)11-6-4-5-7-12(11)17/h4-9,17H,1-3H3
InChIKeyYMNZGCSITVSXJG-UHFFFAOYSA-N
XLogP2.94
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol?
The IUPAC name of 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol (CID 781257) is 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol?
The canonical SMILES for 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol is Cc1cc(OC(C)C)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol?
The InChIKey is YMNZGCSITVSXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)18-13-8-10(3)15-14(16-13)11-6-4-5-7-12(11)17/h4-9,17H,1-3H3.
What are the key properties of 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol?
2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol has a molecular weight of 244.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)phenol is sourced from PubChem (CID 781257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).