5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione

C8H13N3O4 — CID 165473870

IUPAC5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione
SMILESCOCCOCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-14-2-3-15-5-11-4-6(9)7(12)10-8(11)13/h4H,2-3,5,9H2,1H3,(H,10,12,13)
InChIKeyDSCSEPQZWZKGOT-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.26
Rot. Bonds5

About 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione

5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione (PubChem CID 165473870) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione
PubChem CID165473870
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione
SMILESCOCCOCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-14-2-3-15-5-11-4-6(9)7(12)10-8(11)13/h4H,2-3,5,9H2,1H3,(H,10,12,13)
InChIKeyDSCSEPQZWZKGOT-UHFFFAOYSA-N
XLogP-1.26
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione (CID 165473870) is 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione is COCCOCn1cc(N)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is DSCSEPQZWZKGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-14-2-3-15-5-11-4-6(9)7(12)10-8(11)13/h4H,2-3,5,9H2,1H3,(H,10,12,13).
What are the key properties of 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione?
5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 215.21 g/mol, XLogP of -1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 165473870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).