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

C9H11Cl2FN2S — CID 80550345

IUPAC4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine
SMILESCC(C)CSCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C9H11Cl2FN2S/c1-5(2)3-15-4-6-13-8(10)7(12)9(11)14-6/h5H,3-4H2,1-2H3
InChIKeyUPXDLSDZKIKNTQ-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.81
Rot. Bonds4

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

4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine (PubChem CID 80550345) has the molecular formula C9H11Cl2FN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine
PubChem CID80550345
Molecular FormulaC9H11Cl2FN2S
Molecular Weight269.17 g/mol
Exact Mass268.00
IUPAC Name4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine
SMILESCC(C)CSCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C9H11Cl2FN2S/c1-5(2)3-15-4-6-13-8(10)7(12)9(11)14-6/h5H,3-4H2,1-2H3
InChIKeyUPXDLSDZKIKNTQ-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine (CID 80550345) is 4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine is CC(C)CSCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine?
The InChIKey is UPXDLSDZKIKNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2FN2S/c1-5(2)3-15-4-6-13-8(10)7(12)9(11)14-6/h5H,3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine has a molecular weight of 269.17 g/mol, XLogP of 3.81, 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-(2-methylpropylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 80550345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).