1-(benzylideneamino)-6-methylpyrimidine-2,4-dione

C12H11N3O2 — CID 131877466

IUPAC1-(benzylideneamino)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1N=Cc1ccccc1
InChIInChI=1S/C12H11N3O2/c1-9-7-11(16)14-12(17)15(9)13-8-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16,17)
InChIKeyFRCMPNNSRGBMAY-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.73
Rot. Bonds2

About 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione

1-(benzylideneamino)-6-methylpyrimidine-2,4-dione (PubChem CID 131877466) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(benzylideneamino)-6-methylpyrimidine-2,4-dione
PubChem CID131877466
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name1-(benzylideneamino)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1N=Cc1ccccc1
InChIInChI=1S/C12H11N3O2/c1-9-7-11(16)14-12(17)15(9)13-8-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16,17)
InChIKeyFRCMPNNSRGBMAY-UHFFFAOYSA-N
XLogP0.73
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione (CID 131877466) is 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione is Cc1cc(=O)[nH]c(=O)n1N=Cc1ccccc1.
What is the InChIKey of 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione?
The InChIKey is FRCMPNNSRGBMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-9-7-11(16)14-12(17)15(9)13-8-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16,17).
What are the key properties of 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione?
1-(benzylideneamino)-6-methylpyrimidine-2,4-dione has a molecular weight of 229.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 131877466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).