4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine

C11H12ClFN4 — CID 66141483

IUPAC4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine
SMILESCCCn1cncc1-c1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C11H12ClFN4/c1-3-4-17-6-14-5-8(17)11-15-7(2)9(13)10(12)16-11/h5-6H,3-4H2,1-2H3
InChIKeyXWVPXSAYSRTGNB-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.85
Rot. Bonds3

About 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine

4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine (PubChem CID 66141483) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine
PubChem CID66141483
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine
SMILESCCCn1cncc1-c1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C11H12ClFN4/c1-3-4-17-6-14-5-8(17)11-15-7(2)9(13)10(12)16-11/h5-6H,3-4H2,1-2H3
InChIKeyXWVPXSAYSRTGNB-UHFFFAOYSA-N
XLogP2.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine (CID 66141483) is 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine is CCCn1cncc1-c1nc(C)c(F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine?
The InChIKey is XWVPXSAYSRTGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-3-4-17-6-14-5-8(17)11-15-7(2)9(13)10(12)16-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine has a molecular weight of 254.70 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66141483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).