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

C9H16N4O4S — CID 54905286

IUPAC6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O4S/c1-13-7(10)6(8(14)12-9(13)15)11-4-3-5-18(2,16)17/h11H,3-5,10H2,1-2H3,(H,12,14,15)
InChIKeyVRZQPDAXQXJTCZ-UHFFFAOYSA-N
MW276.32 g/mol
LogP-1.50
Rot. Bonds5

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

6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione (PubChem CID 54905286) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione
PubChem CID54905286
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Name6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O4S/c1-13-7(10)6(8(14)12-9(13)15)11-4-3-5-18(2,16)17/h11H,3-5,10H2,1-2H3,(H,12,14,15)
InChIKeyVRZQPDAXQXJTCZ-UHFFFAOYSA-N
XLogP-1.50
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-1.50
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-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione (CID 54905286) is 6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione is Cn1c(N)c(NCCCS(C)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione?
The InChIKey is VRZQPDAXQXJTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-13-7(10)6(8(14)12-9(13)15)11-4-3-5-18(2,16)17/h11H,3-5,10H2,1-2H3,(H,12,14,15).
What are the key properties of 6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione has a molecular weight of 276.32 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(3-methylsulfonylpropylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54905286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).