2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide

C9H17N5O4S — CID 54933726

IUPAC2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
SMILESCCCn1c(N)c(NCCS(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O4S/c1-2-4-14-7(10)6(8(15)13-9(14)16)12-3-5-19(11,17)18/h12H,2-5,10H2,1H3,(H2,11,17,18)(H,13,15,16)
InChIKeySYGHEOXGYRWCCI-UHFFFAOYSA-N
MW291.33 g/mol
LogP-1.77
Rot. Bonds6

About 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide

2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide (PubChem CID 54933726) has the molecular formula C9H17N5O4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
PubChem CID54933726
Molecular FormulaC9H17N5O4S
Molecular Weight291.33 g/mol
Exact Mass291.10
IUPAC Name2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
SMILESCCCn1c(N)c(NCCS(N)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O4S/c1-2-4-14-7(10)6(8(15)13-9(14)16)12-3-5-19(11,17)18/h12H,2-5,10H2,1H3,(H2,11,17,18)(H,13,15,16)
InChIKeySYGHEOXGYRWCCI-UHFFFAOYSA-N
XLogP-1.77
TPSA153.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
CID 115628510
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115604164
6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
CID 2398060
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
CID 83026863
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide (CID 54933726) is 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide is CCCn1c(N)c(NCCS(N)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide?
The InChIKey is SYGHEOXGYRWCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O4S/c1-2-4-14-7(10)6(8(15)13-9(14)16)12-3-5-19(11,17)18/h12H,2-5,10H2,1H3,(H2,11,17,18)(H,13,15,16).
What are the key properties of 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide?
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide has a molecular weight of 291.33 g/mol, XLogP of -1.77, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 54933726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).