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

C15H9Cl2FN4O2 — CID 19095807

IUPAC4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine
SMILESCOc1cc(F)ccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl
InChIInChI=1S/C15H9Cl2FN4O2/c1-23-10-7-8(18)3-4-9(10)24-11-12(16)21-15(22-13(11)17)14-19-5-2-6-20-14/h2-7H,1H3
InChIKeyMHLURUYNXOJZFY-UHFFFAOYSA-N
MW367.17 g/mol
LogP4.18
Rot. Bonds4

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

4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine (PubChem CID 19095807) has the molecular formula C15H9Cl2FN4O2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine
PubChem CID19095807
Molecular FormulaC15H9Cl2FN4O2
Molecular Weight367.17 g/mol
Exact Mass366.01
IUPAC Name4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine
SMILESCOc1cc(F)ccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl
InChIInChI=1S/C15H9Cl2FN4O2/c1-23-10-7-8(18)3-4-9(10)24-11-12(16)21-15(22-13(11)17)14-19-5-2-6-20-14/h2-7H,1H3
InChIKeyMHLURUYNXOJZFY-UHFFFAOYSA-N
XLogP4.18
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 54.18
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-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine (CID 19095807) is 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine is COc1cc(F)ccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine?
The InChIKey is MHLURUYNXOJZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4O2/c1-23-10-7-8(18)3-4-9(10)24-11-12(16)21-15(22-13(11)17)14-19-5-2-6-20-14/h2-7H,1H3.
What are the key properties of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine?
4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine has a molecular weight of 367.17 g/mol, XLogP of 4.18, 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-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 19095807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).