4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine

C9H10FIN2S — CID 164652194

IUPAC4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1nc(F)c(I)c(C2CC2)n1
InChIInChI=1S/C9H10FIN2S/c1-14-4-6-12-8(5-2-3-5)7(11)9(10)13-6/h5H,2-4H2,1H3
InChIKeyIPXUTBVYUPNRNO-UHFFFAOYSA-N
MW324.16 g/mol
LogP2.96
Rot. Bonds3

About 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine

4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine (PubChem CID 164652194) has the molecular formula C9H10FIN2S and a molecular weight of 324.16 g/mol. Its IUPAC name is 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine
PubChem CID164652194
Molecular FormulaC9H10FIN2S
Molecular Weight324.16 g/mol
Exact Mass323.96
IUPAC Name4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1nc(F)c(I)c(C2CC2)n1
InChIInChI=1S/C9H10FIN2S/c1-14-4-6-12-8(5-2-3-5)7(11)9(10)13-6/h5H,2-4H2,1H3
InChIKeyIPXUTBVYUPNRNO-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
The IUPAC name of 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine (CID 164652194) is 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine is CSCc1nc(F)c(I)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
The InChIKey is IPXUTBVYUPNRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIN2S/c1-14-4-6-12-8(5-2-3-5)7(11)9(10)13-6/h5H,2-4H2,1H3.
What are the key properties of 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine?
4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine has a molecular weight of 324.16 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-fluoro-5-iodo-2-(methylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 164652194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).