6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione

C17H17N3O4 — CID 90776638

IUPAC6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(C=C=Cc2ccc(N3CCOCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C17H17N3O4/c21-15-14(16(22)19-17(23)18-15)3-1-2-12-4-6-13(7-5-12)20-8-10-24-11-9-20/h2-7H,8-11H2,(H3,18,19,21,22,23)
InChIKeyHSWPXOLWOZYDOV-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.93
Rot. Bonds3

About 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione (PubChem CID 90776638) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione
PubChem CID90776638
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(C=C=Cc2ccc(N3CCOCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C17H17N3O4/c21-15-14(16(22)19-17(23)18-15)3-1-2-12-4-6-13(7-5-12)20-8-10-24-11-9-20/h2-7H,8-11H2,(H3,18,19,21,22,23)
InChIKeyHSWPXOLWOZYDOV-UHFFFAOYSA-N
XLogP0.93
TPSA98.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

2-[2-hydroxy-3-isocyano-4-methyl-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-6-oxo-1-pyridinyl]acetic acid
CID 91242061
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 91115731
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
2,6-bis[(4-morpholin-4-ylphenyl)methylidene]cyclohexan-1-one
CID 4536428
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
2,6-dimethyl-4-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]phenol
CID 164970433
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
CID 53368386
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135481875
1-(4-bromophenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 4657995

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione (CID 90776638) is 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(C=C=Cc2ccc(N3CCOCC3)cc2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HSWPXOLWOZYDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-15-14(16(22)19-17(23)18-15)3-1-2-12-4-6-13(7-5-12)20-8-10-24-11-9-20/h2-7H,8-11H2,(H3,18,19,21,22,23).
What are the key properties of 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione has a molecular weight of 327.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90776638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).