5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine

C15H13Cl2FN2O2 — CID 139884491

IUPAC5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine
SMILESCCc1ncnc(-c2cc(C3OCCO3)c(Cl)cc2F)c1Cl
InChIInChI=1S/C15H13Cl2FN2O2/c1-2-12-13(17)14(20-7-19-12)9-5-8(10(16)6-11(9)18)15-21-3-4-22-15/h5-7,15H,2-4H2,1H3
InChIKeyIQULJESCISGDFJ-UHFFFAOYSA-N
MW343.19 g/mol
LogP4.20
Rot. Bonds3

About 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine

5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine (PubChem CID 139884491) has the molecular formula C15H13Cl2FN2O2 and a molecular weight of 343.19 g/mol. Its IUPAC name is 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine
PubChem CID139884491
Molecular FormulaC15H13Cl2FN2O2
Molecular Weight343.19 g/mol
Exact Mass342.03
IUPAC Name5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine
SMILESCCc1ncnc(-c2cc(C3OCCO3)c(Cl)cc2F)c1Cl
InChIInChI=1S/C15H13Cl2FN2O2/c1-2-12-13(17)14(20-7-19-12)9-5-8(10(16)6-11(9)18)15-21-3-4-22-15/h5-7,15H,2-4H2,1H3
InChIKeyIQULJESCISGDFJ-UHFFFAOYSA-N
XLogP4.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine?
The IUPAC name of 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine (CID 139884491) is 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine.
What is the SMILES notation for 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine?
The canonical SMILES for 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine is CCc1ncnc(-c2cc(C3OCCO3)c(Cl)cc2F)c1Cl.
What is the InChIKey of 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine?
The InChIKey is IQULJESCISGDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O2/c1-2-12-13(17)14(20-7-19-12)9-5-8(10(16)6-11(9)18)15-21-3-4-22-15/h5-7,15H,2-4H2,1H3.
What are the key properties of 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine?
5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine has a molecular weight of 343.19 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl]-6-ethylpyrimidine is sourced from PubChem (CID 139884491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).