2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine

C11H8Cl2N2O2 — CID 58247423

IUPAC2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C11H8Cl2N2O2/c1-16-7-2-4-8(5-3-7)17-10-9(12)6-14-11(13)15-10/h2-6H,1H3
InChIKeyPSULVBOJNWUWNH-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.58
Rot. Bonds3

About 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine

2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine (PubChem CID 58247423) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
PubChem CID58247423
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(Oc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C11H8Cl2N2O2/c1-16-7-2-4-8(5-3-7)17-10-9(12)6-14-11(13)15-10/h2-6H,1H3
InChIKeyPSULVBOJNWUWNH-UHFFFAOYSA-N
XLogP3.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine (CID 58247423) is 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine is COc1ccc(Oc2nc(Cl)ncc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine?
The InChIKey is PSULVBOJNWUWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-16-7-2-4-8(5-3-7)17-10-9(12)6-14-11(13)15-10/h2-6H,1H3.
What are the key properties of 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine?
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine has a molecular weight of 271.10 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 58247423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).