5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione

C12H21N3O4S — CID 106724722

IUPAC5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCS(=O)(=O)CCC)c1=O
InChIInChI=1S/C12H21N3O4S/c1-3-5-14-9-10(13)11(16)15(12(14)17)6-8-20(18,19)7-4-2/h9H,3-8,13H2,1-2H3
InChIKeyJXDPZGCLJPRVMK-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.17
Rot. Bonds7

About 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione

5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione (PubChem CID 106724722) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione
PubChem CID106724722
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCS(=O)(=O)CCC)c1=O
InChIInChI=1S/C12H21N3O4S/c1-3-5-14-9-10(13)11(16)15(12(14)17)6-8-20(18,19)7-4-2/h9H,3-8,13H2,1-2H3
InChIKeyJXDPZGCLJPRVMK-UHFFFAOYSA-N
XLogP-0.17
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione (CID 106724722) is 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione is CCCn1cc(N)c(=O)n(CCS(=O)(=O)CCC)c1=O.
What is the InChIKey of 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione?
The InChIKey is JXDPZGCLJPRVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-3-5-14-9-10(13)11(16)15(12(14)17)6-8-20(18,19)7-4-2/h9H,3-8,13H2,1-2H3.
What are the key properties of 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione?
5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione has a molecular weight of 303.38 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propyl-3-(2-propylsulfonylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106724722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).