4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one

C10H17N3O3 — CID 136973798

IUPAC4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCOCCCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-3-16-6-4-5-11-9-8(15-2)10(14)13-7-12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyCYLITZDZVRUUBT-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.62
Rot. Bonds7

About 4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one

4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136973798) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136973798
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCOCCCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-3-16-6-4-5-11-9-8(15-2)10(14)13-7-12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyCYLITZDZVRUUBT-UHFFFAOYSA-N
XLogP0.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136973798) is 4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one is CCOCCCNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is CYLITZDZVRUUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-16-6-4-5-11-9-8(15-2)10(14)13-7-12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136973798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).