6-[(E)-propylideneamino]-1H-pyrimidin-2-one

C7H9N3O — CID 70686508

IUPAC6-[(E)-propylideneamino]-1H-pyrimidin-2-one
SMILESCC/C=N/c1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11)/b8-4+
InChIKeySPQHXGCGDUBTSV-XBXARRHUSA-N
MW151.17 g/mol
LogP0.88
Rot. Bonds2

About 6-[(E)-propylideneamino]-1H-pyrimidin-2-one

6-[(E)-propylideneamino]-1H-pyrimidin-2-one (PubChem CID 70686508) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 6-[(E)-propylideneamino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(E)-propylideneamino]-1H-pyrimidin-2-one
PubChem CID70686508
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name6-[(E)-propylideneamino]-1H-pyrimidin-2-one
SMILESCC/C=N/c1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11)/b8-4+
InChIKeySPQHXGCGDUBTSV-XBXARRHUSA-N
XLogP0.88
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-propylideneamino]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(E)-propylideneamino]-1H-pyrimidin-2-one (CID 70686508) is 6-[(E)-propylideneamino]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(E)-propylideneamino]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(E)-propylideneamino]-1H-pyrimidin-2-one is CC/C=N/c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[(E)-propylideneamino]-1H-pyrimidin-2-one?
The InChIKey is SPQHXGCGDUBTSV-XBXARRHUSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11)/b8-4+.
What are the key properties of 6-[(E)-propylideneamino]-1H-pyrimidin-2-one?
6-[(E)-propylideneamino]-1H-pyrimidin-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-propylideneamino]-1H-pyrimidin-2-one is sourced from PubChem (CID 70686508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).