4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine

C8H8ClFN2 — CID 25324167

IUPAC4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine
SMILESCc1nc(C2CC2)nc(Cl)c1F
InChIInChI=1S/C8H8ClFN2/c1-4-6(10)7(9)12-8(11-4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyGWTQXXRCLBELDX-UHFFFAOYSA-N
MW186.62 g/mol
LogP2.45
Rot. Bonds1

About 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine

4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine (PubChem CID 25324167) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine
PubChem CID25324167
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine
SMILESCc1nc(C2CC2)nc(Cl)c1F
InChIInChI=1S/C8H8ClFN2/c1-4-6(10)7(9)12-8(11-4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyGWTQXXRCLBELDX-UHFFFAOYSA-N
XLogP2.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine
CID 3306907
4-Amino-5-chloro-2,6-dimethylpyrimidine
CID 593843
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-5-fluoro-6-methylpyrimidine
CID 18736672
2,4-Dichloro-5-fluoro-6-methylpyrimidine
CID 24903513
4-Chloro-2-cyclopropyl-6-methylpyrimidine
CID 43557492
4-Chloro-6-methyl-2-(1-methylcyclopropyl)pyrimidine
CID 80464763
4-Chloro-2-(cyclopropylmethyl)-6-methylpyrimidine
CID 80484183
4-Chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine
CID 83399480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine (CID 25324167) is 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine is Cc1nc(C2CC2)nc(Cl)c1F.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine?
The InChIKey is GWTQXXRCLBELDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2/c1-4-6(10)7(9)12-8(11-4)5-2-3-5/h5H,2-3H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine?
4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine has a molecular weight of 186.62 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 25324167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).