4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

C14H15N3O6 — CID 54316310

IUPAC4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(O)n(C)c(=O)n(C)c2=O)ccc1O
InChIInChI=1S/C14H15N3O6/c1-16-12(20)10(13(21)17(2)14(16)22)11(19)15-7-4-5-8(18)9(6-7)23-3/h4-6,18,20H,1-3H3,(H,15,19)
InChIKeySOKSSUHWZDXHRQ-UHFFFAOYSA-N
MW321.29 g/mol
LogP-0.24
Rot. Bonds3

About 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (PubChem CID 54316310) has the molecular formula C14H15N3O6 and a molecular weight of 321.29 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
PubChem CID54316310
Molecular FormulaC14H15N3O6
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(O)n(C)c(=O)n(C)c2=O)ccc1O
InChIInChI=1S/C14H15N3O6/c1-16-12(20)10(13(21)17(2)14(16)22)11(19)15-7-4-5-8(18)9(6-7)23-3/h4-6,18,20H,1-3H3,(H,15,19)
InChIKeySOKSSUHWZDXHRQ-UHFFFAOYSA-N
XLogP-0.24
TPSA122.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxyacetaminophen
CID 3080594
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 4113281
1-allyl-N-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1483584
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 4107920
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-(4-methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 3238370
N-(benzo[d][1,3]dioxol-5-yl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 7080877
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 118986710
4-hydroxy-N-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide
CID 137662271
Imidodicarbonic diamide, N-(3,4-dimethoxyphenyl)-N'-ethyl-2-methyl-
CID 3059255
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 16815279
1,3-dimethyl-2,4,6-trioxo-N-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxamide
CID 134145783
N-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134150650

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (CID 54316310) is 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is COc1cc(NC(=O)c2c(O)n(C)c(=O)n(C)c2=O)ccc1O.
What is the InChIKey of 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The InChIKey is SOKSSUHWZDXHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6/c1-16-12(20)10(13(21)17(2)14(16)22)11(19)15-7-4-5-8(18)9(6-7)23-3/h4-6,18,20H,1-3H3,(H,15,19).
What are the key properties of 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide has a molecular weight of 321.29 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 54316310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).