1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione

C17H15N3O5 — CID 799917

IUPAC1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-n2c(O)c(C=C3C=CC=N3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C17H15N3O5/c1-24-11-5-6-14(25-2)13(9-11)20-16(22)12(15(21)19-17(20)23)8-10-4-3-7-18-10/h3-9,22H,1-2H3,(H,19,21,23)
InChIKeyBMWZVCJWFMCRCB-UHFFFAOYSA-N
MW341.32 g/mol
LogP1.23
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione

1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione (PubChem CID 799917) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
PubChem CID799917
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-n2c(O)c(C=C3C=CC=N3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C17H15N3O5/c1-24-11-5-6-14(25-2)13(9-11)20-16(22)12(15(21)19-17(20)23)8-10-4-3-7-18-10/h3-9,22H,1-2H3,(H,19,21,23)
InChIKeyBMWZVCJWFMCRCB-UHFFFAOYSA-N
XLogP1.23
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-chloro-2-methylphenyl)-6-hydroxy-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 137229454
1-(5-chloro-2-methylphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 1398199
6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 135481568
6-hydroxy-1-(4-methylphenyl)-5-[(E)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 135469953
1-(4-chlorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 873272
1-(3,5-dimethylphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 1390650
6-hydroxy-1-phenyl-5-(pyrrol-2-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 760742
1-hexyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 137035009
1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 879865
6-hydroxy-5-[(E)-pyrrol-2-ylidenemethyl]-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
CID 135420775
6-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 135630159
1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 137162220

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione (CID 799917) is 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione is COc1ccc(OC)c(-n2c(O)c(C=C3C=CC=N3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
The InChIKey is BMWZVCJWFMCRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-24-11-5-6-14(25-2)13(9-11)20-16(22)12(15(21)19-17(20)23)8-10-4-3-7-18-10/h3-9,22H,1-2H3,(H,19,21,23).
What are the key properties of 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione has a molecular weight of 341.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 799917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).