6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione

C10H18N4O4S — CID 54905285

IUPAC6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O4S/c1-3-14-8(11)7(9(15)13-10(14)16)12-5-4-6-19(2,17)18/h12H,3-6,11H2,1-2H3,(H,13,15,16)
InChIKeyRTMYAQPMCNYXDE-UHFFFAOYSA-N
MW290.34 g/mol
LogP-1.01
Rot. Bonds6

About 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione (PubChem CID 54905285) has the molecular formula C10H18N4O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione
PubChem CID54905285
Molecular FormulaC10H18N4O4S
Molecular Weight290.34 g/mol
Exact Mass290.10
IUPAC Name6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O4S/c1-3-14-8(11)7(9(15)13-10(14)16)12-5-4-6-19(2,17)18/h12H,3-6,11H2,1-2H3,(H,13,15,16)
InChIKeyRTMYAQPMCNYXDE-UHFFFAOYSA-N
XLogP-1.01
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione (CID 54905285) is 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione is CCn1c(N)c(NCCCS(C)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione?
The InChIKey is RTMYAQPMCNYXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-3-14-8(11)7(9(15)13-10(14)16)12-5-4-6-19(2,17)18/h12H,3-6,11H2,1-2H3,(H,13,15,16).
What are the key properties of 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione has a molecular weight of 290.34 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54905285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).