4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine

C11H10ClFN4 — CID 66163896

IUPAC4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2cncn2C2CC2)nc(Cl)c1F
InChIInChI=1S/C11H10ClFN4/c1-6-9(13)10(12)16-11(15-6)8-4-14-5-17(8)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyYARGFJQZASQJHV-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.78
Rot. Bonds2

About 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine

4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine (PubChem CID 66163896) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine
PubChem CID66163896
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2cncn2C2CC2)nc(Cl)c1F
InChIInChI=1S/C11H10ClFN4/c1-6-9(13)10(12)16-11(15-6)8-4-14-5-17(8)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyYARGFJQZASQJHV-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine (CID 66163896) is 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine is Cc1nc(-c2cncn2C2CC2)nc(Cl)c1F.
What is the InChIKey of 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine?
The InChIKey is YARGFJQZASQJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c1-6-9(13)10(12)16-11(15-6)8-4-14-5-17(8)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine?
4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine has a molecular weight of 252.68 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 66163896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).