4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine

C8H10ClFN2 — CID 62405850

IUPAC4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1nc(C(C)C)nc(Cl)c1F
InChIInChI=1S/C8H10ClFN2/c1-4(2)8-11-5(3)6(10)7(9)12-8/h4H,1-3H3
InChIKeyJSJQXXGAUFDKLX-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.70
Rot. Bonds1

About 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine

4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine (PubChem CID 62405850) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine
PubChem CID62405850
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1nc(C(C)C)nc(Cl)c1F
InChIInChI=1S/C8H10ClFN2/c1-4(2)8-11-5(3)6(10)7(9)12-8/h4H,1-3H3
InChIKeyJSJQXXGAUFDKLX-UHFFFAOYSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2,6-dimethylpyrimidine
CID 3154199
4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine
CID 3306907
4-Amino-5-chloro-2,6-dimethylpyrimidine
CID 593843
4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidine
CID 19009749
5-Bromo-4-chloro-2,6-dimethylpyrimidine
CID 12490576
2,4-Dichloro-5,6-dimethylpyrimidine
CID 241553
4-Chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
CID 2736503
4-Chloro-2,5,6-trimethylpyrimidine
CID 12600391
4,5-Dichloro-2,6-dimethylpyrimidine
CID 15626107
4-Chloro-6-(difluoromethyl)-2-methylpyrimidine
CID 17835510
4-Chloro-5-fluoro-6-methylpyrimidine
CID 18736672
2,4-Dichloro-5-fluoro-6-methylpyrimidine
CID 24903513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine (CID 62405850) is 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine is Cc1nc(C(C)C)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine?
The InChIKey is JSJQXXGAUFDKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2/c1-4(2)8-11-5(3)6(10)7(9)12-8/h4H,1-3H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine?
4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine has a molecular weight of 188.63 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 62405850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).