5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one

C7H12N4O2 — CID 114586370

IUPAC5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one
SMILESNCCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H12N4O2/c8-2-1-3-13-7-5(9)6(12)10-4-11-7/h4H,1-3,8-9H2,(H,10,11,12)
InChIKeyOWEGSZPUEWSWPX-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.92
Rot. Bonds4

About 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one

5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one (PubChem CID 114586370) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one
PubChem CID114586370
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one
SMILESNCCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H12N4O2/c8-2-1-3-13-7-5(9)6(12)10-4-11-7/h4H,1-3,8-9H2,(H,10,11,12)
InChIKeyOWEGSZPUEWSWPX-UHFFFAOYSA-N
XLogP-0.92
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240543
5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241900
5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241923
5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580
5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240661
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671
5-amino-4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
CID 103240801
5-amino-4-butoxy-1H-pyrimidin-6-one
CID 103240826
5-amino-4-pentoxy-1H-pyrimidin-6-one
CID 103240842

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one (CID 114586370) is 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one is NCCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one?
The InChIKey is OWEGSZPUEWSWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-2-1-3-13-7-5(9)6(12)10-4-11-7/h4H,1-3,8-9H2,(H,10,11,12).
What are the key properties of 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one?
5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one has a molecular weight of 184.20 g/mol, XLogP of -0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-aminopropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).