4-(3-methoxyphenoxy)pyrimidine

C11H10N2O2 — CID 140584284

IUPAC4-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ccncn2)c1
InChIInChI=1S/C11H10N2O2/c1-14-9-3-2-4-10(7-9)15-11-5-6-12-8-13-11/h2-8H,1H3
InChIKeyCLQSYXRTADJWKQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.28
Rot. Bonds3

About 4-(3-methoxyphenoxy)pyrimidine

4-(3-methoxyphenoxy)pyrimidine (PubChem CID 140584284) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)pyrimidine
PubChem CID140584284
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ccncn2)c1
InChIInChI=1S/C11H10N2O2/c1-14-9-3-2-4-10(7-9)15-11-5-6-12-8-13-11/h2-8H,1H3
InChIKeyCLQSYXRTADJWKQ-UHFFFAOYSA-N
XLogP2.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)pyrimidine?
The IUPAC name of 4-(3-methoxyphenoxy)pyrimidine (CID 140584284) is 4-(3-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-(3-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4-(3-methoxyphenoxy)pyrimidine is COc1cccc(Oc2ccncn2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)pyrimidine?
The InChIKey is CLQSYXRTADJWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-14-9-3-2-4-10(7-9)15-11-5-6-12-8-13-11/h2-8H,1H3.
What are the key properties of 4-(3-methoxyphenoxy)pyrimidine?
4-(3-methoxyphenoxy)pyrimidine has a molecular weight of 202.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 140584284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).