6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione

C11H20N4O4S — CID 60918354

IUPAC6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O4S/c1-3-4-6-15-9(12)8(10(16)14-11(15)17)13-5-7-20(2,18)19/h13H,3-7,12H2,1-2H3,(H,14,16,17)
InChIKeyBKULEGKPPNJTLQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.62
Rot. Bonds7

About 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione

6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione (PubChem CID 60918354) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
PubChem CID60918354
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Name6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O4S/c1-3-4-6-15-9(12)8(10(16)14-11(15)17)13-5-7-20(2,18)19/h13H,3-7,12H2,1-2H3,(H,14,16,17)
InChIKeyBKULEGKPPNJTLQ-UHFFFAOYSA-N
XLogP-0.62
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
CID 60661545
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione
CID 104925628
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-1-butyl-5-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-2,4-dione
CID 62947582
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethylacetamide
CID 60661495
6-amino-1-butyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrimidine-2,4-dione
CID 63966820

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione (CID 60918354) is 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NCCS(C)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione?
The InChIKey is BKULEGKPPNJTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-3-4-6-15-9(12)8(10(16)14-11(15)17)13-5-7-20(2,18)19/h13H,3-7,12H2,1-2H3,(H,14,16,17).
What are the key properties of 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione has a molecular weight of 304.37 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 60918354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).