1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione

C25H25N3O3 — CID 135822357

IUPAC1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCCCCCCn1c(O)c(/C=C2/C(c3ccccc3)=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N3O3/c1-2-3-4-10-15-28-24(30)20(23(29)27-25(28)31)16-19-18-13-8-9-14-21(18)26-22(19)17-11-6-5-7-12-17/h5-9,11-14,16,30H,2-4,10,15H2,1H3,(H,27,29,31)/b19-16+
InChIKeySXYYJJGEKVVOJU-KNTRCKAVSA-N
MW415.49 g/mol
LogP4.50
Rot. Bonds7

About 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione

1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135822357) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID135822357
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCCCCCCn1c(O)c(/C=C2/C(c3ccccc3)=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N3O3/c1-2-3-4-10-15-28-24(30)20(23(29)27-25(28)31)16-19-18-13-8-9-14-21(18)26-22(19)17-11-6-5-7-12-17/h5-9,11-14,16,30H,2-4,10,15H2,1H3,(H,27,29,31)/b19-16+
InChIKeySXYYJJGEKVVOJU-KNTRCKAVSA-N
XLogP4.50
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-6-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 3313719
6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135651540
6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135884677
1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135884674
6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135884662
1-(4-fluorophenyl)-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135420791
1-hexyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 137035009
1-(4-chlorophenyl)-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135822120
1-(3,4-dimethylphenyl)-6-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 2034701
5-[[2-(4-chlorophenyl)indol-3-ylidene]methyl]-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
CID 136627717
1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 951728
N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
CID 135521685

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione (CID 135822357) is 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is CCCCCCn1c(O)c(/C=C2/C(c3ccccc3)=Nc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is SXYYJJGEKVVOJU-KNTRCKAVSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-3-4-10-15-28-24(30)20(23(29)27-25(28)31)16-19-18-13-8-9-14-21(18)26-22(19)17-11-6-5-7-12-17/h5-9,11-14,16,30H,2-4,10,15H2,1H3,(H,27,29,31)/b19-16+.
What are the key properties of 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 415.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135822357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).