6-(ethylideneamino)-1H-pyrimidin-2-one

C6H7N3O — CID 90760738

IUPAC6-(ethylideneamino)-1H-pyrimidin-2-one
SMILESCC=Nc1ccnc(=O)[nH]1
InChIInChI=1S/C6H7N3O/c1-2-7-5-3-4-8-6(10)9-5/h2-4H,1H3,(H,8,9,10)
InChIKeyQSJNRTCJVPCSHR-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.49
Rot. Bonds1

About 6-(ethylideneamino)-1H-pyrimidin-2-one

6-(ethylideneamino)-1H-pyrimidin-2-one (PubChem CID 90760738) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 6-(ethylideneamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(ethylideneamino)-1H-pyrimidin-2-one
PubChem CID90760738
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name6-(ethylideneamino)-1H-pyrimidin-2-one
SMILESCC=Nc1ccnc(=O)[nH]1
InChIInChI=1S/C6H7N3O/c1-2-7-5-3-4-8-6(10)9-5/h2-4H,1H3,(H,8,9,10)
InChIKeyQSJNRTCJVPCSHR-UHFFFAOYSA-N
XLogP0.49
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.49
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-(ethylideneamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(ethylideneamino)-1H-pyrimidin-2-one (CID 90760738) is 6-(ethylideneamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(ethylideneamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(ethylideneamino)-1H-pyrimidin-2-one is CC=Nc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(ethylideneamino)-1H-pyrimidin-2-one?
The InChIKey is QSJNRTCJVPCSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-2-7-5-3-4-8-6(10)9-5/h2-4H,1H3,(H,8,9,10).
What are the key properties of 6-(ethylideneamino)-1H-pyrimidin-2-one?
6-(ethylideneamino)-1H-pyrimidin-2-one has a molecular weight of 137.14 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylideneamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 90760738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).