6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione

C17H15N3O4 — CID 135440727

IUPAC6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(O)c(/C=C3/C=CC=N3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-24-13-6-4-11(5-7-13)10-20-16(22)14(15(21)19-17(20)23)9-12-3-2-8-18-12/h2-9,22H,10H2,1H3,(H,19,21,23)/b12-9-
InChIKeyMHIIBBAQUXRNMO-XFXZXTDPSA-N
MW325.32 g/mol
LogP1.28
Rot. Bonds4

About 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione

6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135440727) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
PubChem CID135440727
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(O)c(/C=C3/C=CC=N3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-24-13-6-4-11(5-7-13)10-20-16(22)14(15(21)19-17(20)23)9-12-3-2-8-18-12/h2-9,22H,10H2,1H3,(H,19,21,23)/b12-9-
InChIKeyMHIIBBAQUXRNMO-XFXZXTDPSA-N
XLogP1.28
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione (CID 135440727) is 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione is COc1ccc(Cn2c(O)c(/C=C3/C=CC=N3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione?
The InChIKey is MHIIBBAQUXRNMO-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-13-6-4-11(5-7-13)10-20-16(22)14(15(21)19-17(20)23)9-12-3-2-8-18-12/h2-9,22H,10H2,1H3,(H,19,21,23)/b12-9-.
What are the key properties of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione?
6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione has a molecular weight of 325.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135440727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).