4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one

C9H15N3O2 — CID 114586365

IUPAC4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCCCN)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-7-11-8(13)6-9(12-7)14-5-3-4-10/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyGYACQNCXRGYSII-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.06
Rot. Bonds5

About 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one

4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 114586365) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one
PubChem CID114586365
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCCCN)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-7-11-8(13)6-9(12-7)14-5-3-4-10/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyGYACQNCXRGYSII-UHFFFAOYSA-N
XLogP0.06
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one (CID 114586365) is 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OCCCN)cc(=O)[nH]1.
What is the InChIKey of 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is GYACQNCXRGYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-7-11-8(13)6-9(12-7)14-5-3-4-10/h6H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one?
4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).