4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine

C9H7Cl2FN4 — CID 80550967

IUPAC4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine
SMILESCCn1cncc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C9H7Cl2FN4/c1-2-16-4-13-3-5(16)9-14-7(10)6(12)8(11)15-9/h3-4H,2H2,1H3
InChIKeyCIPHTIZJIUXRGC-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.81
Rot. Bonds2

About 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine

4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine (PubChem CID 80550967) has the molecular formula C9H7Cl2FN4 and a molecular weight of 261.09 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine
PubChem CID80550967
Molecular FormulaC9H7Cl2FN4
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine
SMILESCCn1cncc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C9H7Cl2FN4/c1-2-16-4-13-3-5(16)9-14-7(10)6(12)8(11)15-9/h3-4H,2H2,1H3
InChIKeyCIPHTIZJIUXRGC-UHFFFAOYSA-N
XLogP2.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine (CID 80550967) is 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine is CCn1cncc1-c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine?
The InChIKey is CIPHTIZJIUXRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FN4/c1-2-16-4-13-3-5(16)9-14-7(10)6(12)8(11)15-9/h3-4H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine?
4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine has a molecular weight of 261.09 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine is sourced from PubChem (CID 80550967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).