1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride

C6H7ClN2O4S — CID 4962717

IUPAC1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)c(=O)n(C)c1=O
InChIInChI=1S/C6H7ClN2O4S/c1-8-3-4(14(7,12)13)5(10)9(2)6(8)11/h3H,1-2H3
InChIKeySBIHCODLIXCTKF-UHFFFAOYSA-N
MW238.65 g/mol
LogP-0.99
Rot. Bonds1

About 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride

1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride (PubChem CID 4962717) has the molecular formula C6H7ClN2O4S and a molecular weight of 238.65 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride
PubChem CID4962717
Molecular FormulaC6H7ClN2O4S
Molecular Weight238.65 g/mol
Exact Mass237.98
IUPAC Name1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)c(=O)n(C)c1=O
InChIInChI=1S/C6H7ClN2O4S/c1-8-3-4(14(7,12)13)5(10)9(2)6(8)11/h3H,1-2H3
InChIKeySBIHCODLIXCTKF-UHFFFAOYSA-N
XLogP-0.99
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinesulfonamide
CID 73270
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 234620
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CID 64341367
N-(2-cyanoethyl)-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196409
5-(Methanesulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 244105
2,2,2-Trifluoroethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate
CID 47121775
1-(2,2-Difluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 64339829
2,4-Dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonyl chloride
CID 64340217
1-(Difluoromethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 64341944
2,4-Dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonyl chloride
CID 64565945
1-(2-Fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 80695461
1-(3-Fluoropropyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 81114146

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride?
The IUPAC name of 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride (CID 4962717) is 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride?
The canonical SMILES for 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride is Cn1cc(S(=O)(=O)Cl)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride?
The InChIKey is SBIHCODLIXCTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O4S/c1-8-3-4(14(7,12)13)5(10)9(2)6(8)11/h3H,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride?
1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride has a molecular weight of 238.65 g/mol, XLogP of -0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 4962717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).