4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine

C8H9Cl2FN2S — CID 80550189

IUPAC4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine
SMILESCCCSCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2S/c1-2-3-14-4-5-12-7(9)6(11)8(10)13-5/h2-4H2,1H3
InChIKeyMXVNVMARYMZWJM-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.57
Rot. Bonds4

About 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine

4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine (PubChem CID 80550189) has the molecular formula C8H9Cl2FN2S and a molecular weight of 255.14 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine
PubChem CID80550189
Molecular FormulaC8H9Cl2FN2S
Molecular Weight255.14 g/mol
Exact Mass253.98
IUPAC Name4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine
SMILESCCCSCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2S/c1-2-3-14-4-5-12-7(9)6(11)8(10)13-5/h2-4H2,1H3
InChIKeyMXVNVMARYMZWJM-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dichloro-5-fluoro-2-methylpyrimidine
CID 13731033
4,6-Dichloro-2-ethyl-5-fluoropyrimidine
CID 55264154
4,6-Dichloro-2-methylpyrimidine-5-carbothialdehyde
CID 129871573
(4-Chloro-6-fluoro-2-methylpyrimidin-5-yl) thiocyanate
CID 164525950
(4,6-Dichloro-5-fluoropyrimidin-2-yl)methanesulfinate
CID 174763356
4-Chloro-5-fluoro-6-methyl-2-(propylsulfanylmethyl)pyrimidine
CID 65998445
2-(Butan-2-ylsulfanylmethyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000626
4,6-Dichloro-5-fluoro-2-isopropylpyrimidine
CID 79033231
4,6-Dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine
CID 79033232
2-Tert-butyl-4,6-dichloro-5-fluoropyrimidine
CID 79033233
4,6-Dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine
CID 80550183
2-Butyl-4,6-dichloro-5-fluoropyrimidine
CID 80550184

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine (CID 80550189) is 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine is CCCSCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine?
The InChIKey is MXVNVMARYMZWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2S/c1-2-3-14-4-5-12-7(9)6(11)8(10)13-5/h2-4H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine has a molecular weight of 255.14 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(propylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 80550189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).