5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione

C8H13N3O3 — CID 142755640

IUPAC5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione
SMILESNCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O3/c9-2-1-3-14-5-6-4-10-8(13)11-7(6)12/h4H,1-3,5,9H2,(H2,10,11,12,13)
InChIKeySAROYIPFGXNWEO-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.07
Rot. Bonds5

About 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione

5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 142755640) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID142755640
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione
SMILESNCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O3/c9-2-1-3-14-5-6-4-10-8(13)11-7(6)12/h4H,1-3,5,9H2,(H2,10,11,12,13)
InChIKeySAROYIPFGXNWEO-UHFFFAOYSA-N
XLogP-1.07
TPSA100.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione (CID 142755640) is 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione is NCCCOCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SAROYIPFGXNWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-2-1-3-14-5-6-4-10-8(13)11-7(6)12/h4H,1-3,5,9H2,(H2,10,11,12,13).
What are the key properties of 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione?
5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 199.21 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 142755640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).