6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione

C8H14N4O3 — CID 25210524

IUPAC6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESNOCCCNCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H14N4O3/c9-15-3-1-2-10-5-6-4-7(13)12-8(14)11-6/h4,10H,1-3,5,9H2,(H2,11,12,13,14)
InChIKeyVOBYLIOZIUMHFH-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.57
Rot. Bonds6

About 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione

6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 25210524) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione
PubChem CID25210524
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESNOCCCNCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H14N4O3/c9-15-3-1-2-10-5-6-4-7(13)12-8(14)11-6/h4,10H,1-3,5,9H2,(H2,11,12,13,14)
InChIKeyVOBYLIOZIUMHFH-UHFFFAOYSA-N
XLogP-1.57
TPSA113.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione (CID 25210524) is 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione is NOCCCNCc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VOBYLIOZIUMHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c9-15-3-1-2-10-5-6-4-7(13)12-8(14)11-6/h4,10H,1-3,5,9H2,(H2,11,12,13,14).
What are the key properties of 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione?
6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminooxypropylamino)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 25210524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).