6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione

C15H17N3O4 — CID 4783672

IUPAC6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(C/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-17-13(19)12(14(20)18(2)15(17)21)9-16-8-10-4-6-11(22-3)7-5-10/h4-7,9,19H,8H2,1-3H3/b16-9+
InChIKeyMDHGYDHAJUOGMD-CXUHLZMHSA-N
MW303.32 g/mol
LogP0.42
Rot. Bonds4

About 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 4783672) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID4783672
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(C/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-17-13(19)12(14(20)18(2)15(17)21)9-16-8-10-4-6-11(22-3)7-5-10/h4-7,9,19H,8H2,1-3H3/b16-9+
InChIKeyMDHGYDHAJUOGMD-CXUHLZMHSA-N
XLogP0.42
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-{[(4-Methoxyphenyl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2288258
1-[(4-Ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 659160
(5Z)-6-hydroxy-3-(4-methoxybenzyl)-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1923648
1,3-Dimethyl-5-[(2-o-tolyloxy-ethylamino)-methylene]-pyrimidine-2,4,6-trione
CID 2015027
5-[3-(Diethylamino)propyliminomethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 3746828
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-{[(3-hydroxypropyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
CID 1625521
2,6-dihydroxy-3-(4-propoxybenzyl)pyrimidin-4(3H)-one
CID 659070
2,6-dihydroxy-3-(4-methoxybenzyl)pyrimidin-4(3H)-one
CID 659296
(5Z)-5-[(cyclopropylamino)methylidene]-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1397700
5-[1-[3-(4-Ethylphenoxy)propylamino]ethylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2836550
(5Z)-1-(4-methoxybenzyl)-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135440727
(E)-1-(3,4-dimethoxyphenethyl)-5-(((3-(dimethylamino)propyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 3510144

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 4783672) is 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione is COc1ccc(C/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MDHGYDHAJUOGMD-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-17-13(19)12(14(20)18(2)15(17)21)9-16-8-10-4-6-11(22-3)7-5-10/h4-7,9,19H,8H2,1-3H3/b16-9+.
What are the key properties of 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 4783672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).