4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine

C15H15ClN2O2 — CID 80973921

IUPAC4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
SMILESCOc1ccccc1Oc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C15H15ClN2O2/c1-9-13(16)17-14(10-7-8-10)18-15(9)20-12-6-4-3-5-11(12)19-2/h3-6,10H,7-8H2,1-2H3
InChIKeyXKDIONFFPJFSRT-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.12
Rot. Bonds4

About 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine (PubChem CID 80973921) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
PubChem CID80973921
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
SMILESCOc1ccccc1Oc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C15H15ClN2O2/c1-9-13(16)17-14(10-7-8-10)18-15(9)20-12-6-4-3-5-11(12)19-2/h3-6,10H,7-8H2,1-2H3
InChIKeyXKDIONFFPJFSRT-UHFFFAOYSA-N
XLogP4.12
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine (CID 80973921) is 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine is COc1ccccc1Oc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine?
The InChIKey is XKDIONFFPJFSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-13(16)17-14(10-7-8-10)18-15(9)20-12-6-4-3-5-11(12)19-2/h3-6,10H,7-8H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine has a molecular weight of 290.75 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine is sourced from PubChem (CID 80973921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).