6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione

C13H13N3O3 — CID 2320102

IUPAC6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H13N3O3/c1-15-11(17)10(12(18)16(2)13(15)19)8-14-9-6-4-3-5-7-9/h3-8,17H,1-2H3/b14-8+
InChIKeyFEBQQBVJYYYHAP-RIYZIHGNSA-N
MW259.26 g/mol
LogP0.54
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione (PubChem CID 2320102) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
PubChem CID2320102
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H13N3O3/c1-15-11(17)10(12(18)16(2)13(15)19)8-14-9-6-4-3-5-7-9/h3-8,17H,1-2H3/b14-8+
InChIKeyFEBQQBVJYYYHAP-RIYZIHGNSA-N
XLogP0.54
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-Diethylamino-phenylamino)-methylene]-pyrimidine-2,4,6-trione
CID 352290
1-allyl-5-{[(4-fluorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1908935
1,3-dimethyl-5-{[3-(trifluoromethyl)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2308729
5-{[(4-bromophenyl)amino]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 2369567
5-{1-[(2-aminophenyl)amino]ethylidene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2839918
(5E)-5-[1-[4-(dimethylamino)anilino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 4529300
6-[(4-Fluoroanilino)methylidene]-1,3,8-trimethyl-1,2,3,4,5,6,7,8-octahydropyrido[2,3-d]pyrimidine-2,4,5,7-tetraone
CID 135454261
5-(Anilinomethylene)barbituric acid
CID 2250488
5-(Aminomethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 288290
methyl 6-hydroxy-1,3-dimethyl-2,4-dioxo-N-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbimidothioate
CID 660104
(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
CID 662574
(E)-1-allyl-5-(1-((4-(dimethylamino)phenyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1405560

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione (CID 2320102) is 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is FEBQQBVJYYYHAP-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-15-11(17)10(12(18)16(2)13(15)19)8-14-9-6-4-3-5-7-9/h3-8,17H,1-2H3/b14-8+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 259.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2320102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).