2-(4-methoxyphenyl)pyrimidine

C11H10N2O — CID 10943178

IUPAC2-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C11H10N2O/c1-14-10-5-3-9(4-6-10)11-12-7-2-8-13-11/h2-8H,1H3
InChIKeyPDAIFTPWQFGJGD-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-methoxyphenyl)pyrimidine

2-(4-methoxyphenyl)pyrimidine (PubChem CID 10943178) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)pyrimidine
PubChem CID10943178
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C11H10N2O/c1-14-10-5-3-9(4-6-10)11-12-7-2-8-13-11/h2-8H,1H3
InChIKeyPDAIFTPWQFGJGD-UHFFFAOYSA-N
XLogP2.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)pyrimidine (CID 10943178) is 2-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2ncccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)pyrimidine?
The InChIKey is PDAIFTPWQFGJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-14-10-5-3-9(4-6-10)11-12-7-2-8-13-11/h2-8H,1H3.
What are the key properties of 2-(4-methoxyphenyl)pyrimidine?
2-(4-methoxyphenyl)pyrimidine has a molecular weight of 186.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 10943178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).