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

C11H12ClFN4 — CID 66130903

IUPAC4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1nc(-c2cncn2C(C)C)nc(Cl)c1F
InChIInChI=1S/C11H12ClFN4/c1-6(2)17-5-14-4-8(17)11-15-7(3)9(13)10(12)16-11/h4-6H,1-3H3
InChIKeyHHFOAOWKXCVGLY-UHFFFAOYSA-N
MW254.70 g/mol
LogP3.02
Rot. Bonds2

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

4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine (PubChem CID 66130903) 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-propan-2-ylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
PubChem CID66130903
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1nc(-c2cncn2C(C)C)nc(Cl)c1F
InChIInChI=1S/C11H12ClFN4/c1-6(2)17-5-14-4-8(17)11-15-7(3)9(13)10(12)16-11/h4-6H,1-3H3
InChIKeyHHFOAOWKXCVGLY-UHFFFAOYSA-N
XLogP3.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 53.02
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-propan-2-ylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine (CID 66130903) is 4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine is Cc1nc(-c2cncn2C(C)C)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The InChIKey is HHFOAOWKXCVGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-6(2)17-5-14-4-8(17)11-15-7(3)9(13)10(12)16-11/h4-6H,1-3H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine has a molecular weight of 254.70 g/mol, XLogP of 3.02, 2 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-propan-2-ylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66130903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).