2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine

C8H10Cl2N2O2S — CID 57427660

IUPAC2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine
SMILESCC(C)S(=O)(=O)Cc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C8H10Cl2N2O2S/c1-5(2)15(13,14)4-6-3-7(9)12-8(10)11-6/h3,5H,4H2,1-2H3
InChIKeyFLBGTCNSAOWKRW-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.11
Rot. Bonds3

About 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine

2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine (PubChem CID 57427660) has the molecular formula C8H10Cl2N2O2S and a molecular weight of 269.15 g/mol. Its IUPAC name is 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine
PubChem CID57427660
Molecular FormulaC8H10Cl2N2O2S
Molecular Weight269.15 g/mol
Exact Mass267.98
IUPAC Name2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine
SMILESCC(C)S(=O)(=O)Cc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C8H10Cl2N2O2S/c1-5(2)15(13,14)4-6-3-7(9)12-8(10)11-6/h3,5H,4H2,1-2H3
InChIKeyFLBGTCNSAOWKRW-UHFFFAOYSA-N
XLogP2.11
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine?
The IUPAC name of 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine (CID 57427660) is 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine is CC(C)S(=O)(=O)Cc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine?
The InChIKey is FLBGTCNSAOWKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S/c1-5(2)15(13,14)4-6-3-7(9)12-8(10)11-6/h3,5H,4H2,1-2H3.
What are the key properties of 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine?
2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine has a molecular weight of 269.15 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(propan-2-ylsulfonylmethyl)pyrimidine is sourced from PubChem (CID 57427660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).