4-(5-methylpyrimidin-2-yl)phenol

C11H10N2O — CID 135581358

IUPAC4-(5-methylpyrimidin-2-yl)phenol
SMILESCc1cnc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C11H10N2O/c1-8-6-12-11(13-7-8)9-2-4-10(14)5-3-9/h2-7,14H,1H3
InChIKeyLDVYTGJYAINFME-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.16
Rot. Bonds1

About 4-(5-methylpyrimidin-2-yl)phenol

4-(5-methylpyrimidin-2-yl)phenol (PubChem CID 135581358) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(5-methylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-(5-methylpyrimidin-2-yl)phenol
PubChem CID135581358
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(5-methylpyrimidin-2-yl)phenol
SMILESCc1cnc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C11H10N2O/c1-8-6-12-11(13-7-8)9-2-4-10(14)5-3-9/h2-7,14H,1H3
InChIKeyLDVYTGJYAINFME-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-(5-methylpyrimidin-2-yl)phenol?
The IUPAC name of 4-(5-methylpyrimidin-2-yl)phenol (CID 135581358) is 4-(5-methylpyrimidin-2-yl)phenol.
What is the SMILES notation for 4-(5-methylpyrimidin-2-yl)phenol?
The canonical SMILES for 4-(5-methylpyrimidin-2-yl)phenol is Cc1cnc(-c2ccc(O)cc2)nc1.
What is the InChIKey of 4-(5-methylpyrimidin-2-yl)phenol?
The InChIKey is LDVYTGJYAINFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-6-12-11(13-7-8)9-2-4-10(14)5-3-9/h2-7,14H,1H3.
What are the key properties of 4-(5-methylpyrimidin-2-yl)phenol?
4-(5-methylpyrimidin-2-yl)phenol 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-(5-methylpyrimidin-2-yl)phenol is sourced from PubChem (CID 135581358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).