3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate

C10H15N3O4 — CID 11499686

IUPAC3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate
SMILESCOc1nc(N)cc(=O)n1CCCOC(C)=O
InChIInChI=1S/C10H15N3O4/c1-7(14)17-5-3-4-13-9(15)6-8(11)12-10(13)16-2/h6H,3-5,11H2,1-2H3
InChIKeyYWDGAXAGKDJKQU-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.21
Rot. Bonds5

About 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate

3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate (PubChem CID 11499686) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate.

Molecular Properties

Compound Name3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate
PubChem CID11499686
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate
SMILESCOc1nc(N)cc(=O)n1CCCOC(C)=O
InChIInChI=1S/C10H15N3O4/c1-7(14)17-5-3-4-13-9(15)6-8(11)12-10(13)16-2/h6H,3-5,11H2,1-2H3
InChIKeyYWDGAXAGKDJKQU-UHFFFAOYSA-N
XLogP-0.21
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
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 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate?
The IUPAC name of 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate (CID 11499686) is 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate.
What is the SMILES notation for 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate?
The canonical SMILES for 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate is COc1nc(N)cc(=O)n1CCCOC(C)=O.
What is the InChIKey of 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate?
The InChIKey is YWDGAXAGKDJKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7(14)17-5-3-4-13-9(15)6-8(11)12-10(13)16-2/h6H,3-5,11H2,1-2H3.
What are the key properties of 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate?
3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate has a molecular weight of 241.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)propyl acetate is sourced from PubChem (CID 11499686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).