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

C17H15N3O3 — CID 137098387

IUPAC6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc3ccccc3c2)c(=O)n(C)c1=O
InChIInChI=1S/C17H15N3O3/c1-19-15(21)14(16(22)20(2)17(19)23)10-18-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,21H,1-2H3/b18-10+
InChIKeyWFHMSJHPZYJTJV-VCHYOVAHSA-N
MW309.32 g/mol
LogP1.69
Rot. Bonds2

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

6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione (PubChem CID 137098387) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione
PubChem CID137098387
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc3ccccc3c2)c(=O)n(C)c1=O
InChIInChI=1S/C17H15N3O3/c1-19-15(21)14(16(22)20(2)17(19)23)10-18-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,21H,1-2H3/b18-10+
InChIKeyWFHMSJHPZYJTJV-VCHYOVAHSA-N
XLogP1.69
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.69
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

1,3-dimethyl-5-{[3-(trifluoromethyl)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2308729
(5Z)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135438774
(5Z)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 658998
(5E)-5-{[(2-aminophenyl)amino]methylidene}-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1414869
1,3-dimethyl-5-{[(3-methylphenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1375946
1,3-Dimethyl-5-{[(4-methylphenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione
CID 2179717
5-[(1E)-N-(2,3-dihydro-1H-inden-5-yl)ethanimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 662319
5-[(1E)-N-(2,3-dihydro-1H-inden-5-yl)propanimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 663092
(5Z)-3-tert-butyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 663293
5-[(2,3-Dihydro-1H-inden-5-ylamino)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2263641
(5E)-3-cyclohexyl-5-[1-(2,3-dihydro-1H-inden-5-ylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3746825
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-methyl-3-naphthalen-1-ylpyrimidine-2,4-dione
CID 136152928

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione (CID 137098387) is 6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccc3ccccc3c2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione?
The InChIKey is WFHMSJHPZYJTJV-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-19-15(21)14(16(22)20(2)17(19)23)10-18-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,21H,1-2H3/b18-10+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione has a molecular weight of 309.32 g/mol, XLogP of 1.69, 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-(naphthalen-2-yliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 137098387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).