4-(1-chloroethyl)-5-fluoropyrimidine

C6H6ClFN2 — CID 119085863

IUPAC4-(1-chloroethyl)-5-fluoropyrimidine
SMILESCC(Cl)c1ncncc1F
InChIInChI=1S/C6H6ClFN2/c1-4(7)6-5(8)2-9-3-10-6/h2-4H,1H3
InChIKeyBEQDVNMVPIBWNK-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.92
Rot. Bonds1

About 4-(1-chloroethyl)-5-fluoropyrimidine

4-(1-chloroethyl)-5-fluoropyrimidine (PubChem CID 119085863) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 4-(1-chloroethyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-5-fluoropyrimidine
PubChem CID119085863
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name4-(1-chloroethyl)-5-fluoropyrimidine
SMILESCC(Cl)c1ncncc1F
InChIInChI=1S/C6H6ClFN2/c1-4(7)6-5(8)2-9-3-10-6/h2-4H,1H3
InChIKeyBEQDVNMVPIBWNK-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(1-chloroethyl)-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride
CID 173067684
sodium 2-(5-fluoropyrimidin-4-yl)propanoate
CID 67382627
4-(3-chlorobutan-2-yl)-5-iodopyrimidine
CID 66318463
5-bromo-4-(3-chlorobutan-2-yl)pyrimidine
CID 66318685
5-[(1R)-1-chloroethyl]-4-methylpyrimidine
CID 94587761
4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 118053651
1-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 23374709
5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine
CID 23236379
1-(5-methylpyrimidin-4-yl)ethanol
CID 170901013
CID 174505326
CID 174505326
4-fluoro-1,2-dimethylbenzene;3-(5-fluoropyrimidin-4-yl)butan-2-ol;1-methyl-1,2,4-triazole
CID 143796547
1-(5-fluoropyrimidin-4-yl)ethanone
CID 67073844

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-5-fluoropyrimidine?
The IUPAC name of 4-(1-chloroethyl)-5-fluoropyrimidine (CID 119085863) is 4-(1-chloroethyl)-5-fluoropyrimidine.
What is the SMILES notation for 4-(1-chloroethyl)-5-fluoropyrimidine?
The canonical SMILES for 4-(1-chloroethyl)-5-fluoropyrimidine is CC(Cl)c1ncncc1F.
What is the InChIKey of 4-(1-chloroethyl)-5-fluoropyrimidine?
The InChIKey is BEQDVNMVPIBWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-4(7)6-5(8)2-9-3-10-6/h2-4H,1H3.
What are the key properties of 4-(1-chloroethyl)-5-fluoropyrimidine?
4-(1-chloroethyl)-5-fluoropyrimidine has a molecular weight of 160.58 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-5-fluoropyrimidine is sourced from PubChem (CID 119085863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).