4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine

C15H10Cl2N4O2 — CID 10545706

IUPAC4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl
InChIInChI=1S/C15H10Cl2N4O2/c1-22-9-5-2-3-6-10(9)23-11-12(16)20-15(21-13(11)17)14-18-7-4-8-19-14/h2-8H,1H3
InChIKeyIZGOBGVYADHVKH-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.04
Rot. Bonds4

About 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine

4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine (PubChem CID 10545706) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine
PubChem CID10545706
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC Name4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl
InChIInChI=1S/C15H10Cl2N4O2/c1-22-9-5-2-3-6-10(9)23-11-12(16)20-15(21-13(11)17)14-18-7-4-8-19-14/h2-8H,1H3
InChIKeyIZGOBGVYADHVKH-UHFFFAOYSA-N
XLogP4.04
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine (CID 10545706) is 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine is COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine?
The InChIKey is IZGOBGVYADHVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c1-22-9-5-2-3-6-10(9)23-11-12(16)20-15(21-13(11)17)14-18-7-4-8-19-14/h2-8H,1H3.
What are the key properties of 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine?
4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine has a molecular weight of 349.18 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 10545706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).