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

C10H7Cl2FN4 — CID 80550975

IUPAC4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine
SMILESFc1c(Cl)nc(-c2cncn2C2CC2)nc1Cl
InChIInChI=1S/C10H7Cl2FN4/c11-8-7(13)9(12)16-10(15-8)6-3-14-4-17(6)5-1-2-5/h3-5H,1-2H2
InChIKeyGMOBGWLXFXRDLW-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.12
Rot. Bonds2

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

4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine (PubChem CID 80550975) has the molecular formula C10H7Cl2FN4 and a molecular weight of 273.10 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine
PubChem CID80550975
Molecular FormulaC10H7Cl2FN4
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine
SMILESFc1c(Cl)nc(-c2cncn2C2CC2)nc1Cl
InChIInChI=1S/C10H7Cl2FN4/c11-8-7(13)9(12)16-10(15-8)6-3-14-4-17(6)5-1-2-5/h3-5H,1-2H2
InChIKeyGMOBGWLXFXRDLW-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.12
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-cyclopropylimidazol-4-yl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine (CID 80550975) is 4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine is Fc1c(Cl)nc(-c2cncn2C2CC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine?
The InChIKey is GMOBGWLXFXRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN4/c11-8-7(13)9(12)16-10(15-8)6-3-14-4-17(6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine?
4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine has a molecular weight of 273.10 g/mol, XLogP of 3.12, 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-cyclopropylimidazol-4-yl)-5-fluoropyrimidine is sourced from PubChem (CID 80550975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).