4-methyl-3-pyrimidin-5-ylphenol

C11H10N2O — CID 130758560

IUPAC4-methyl-3-pyrimidin-5-ylphenol
SMILESCc1ccc(O)cc1-c1cncnc1
InChIInChI=1S/C11H10N2O/c1-8-2-3-10(14)4-11(8)9-5-12-7-13-6-9/h2-7,14H,1H3
InChIKeyNDJKXMUWEIYVDK-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.16
Rot. Bonds1

About 4-methyl-3-pyrimidin-5-ylphenol

4-methyl-3-pyrimidin-5-ylphenol (PubChem CID 130758560) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-methyl-3-pyrimidin-5-ylphenol.

Molecular Properties

Compound Name4-methyl-3-pyrimidin-5-ylphenol
PubChem CID130758560
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-methyl-3-pyrimidin-5-ylphenol
SMILESCc1ccc(O)cc1-c1cncnc1
InChIInChI=1S/C11H10N2O/c1-8-2-3-10(14)4-11(8)9-5-12-7-13-6-9/h2-7,14H,1H3
InChIKeyNDJKXMUWEIYVDK-UHFFFAOYSA-N
XLogP2.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrimidin-5-ylphenol?
The IUPAC name of 4-methyl-3-pyrimidin-5-ylphenol (CID 130758560) is 4-methyl-3-pyrimidin-5-ylphenol.
What is the SMILES notation for 4-methyl-3-pyrimidin-5-ylphenol?
The canonical SMILES for 4-methyl-3-pyrimidin-5-ylphenol is Cc1ccc(O)cc1-c1cncnc1.
What is the InChIKey of 4-methyl-3-pyrimidin-5-ylphenol?
The InChIKey is NDJKXMUWEIYVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-2-3-10(14)4-11(8)9-5-12-7-13-6-9/h2-7,14H,1H3.
What are the key properties of 4-methyl-3-pyrimidin-5-ylphenol?
4-methyl-3-pyrimidin-5-ylphenol has a molecular weight of 186.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrimidin-5-ylphenol is sourced from PubChem (CID 130758560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).