6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione

C18H21N5O3 — CID 135544677

IUPAC6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C=N/N2CCCCC2c2cccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H21N5O3/c1-2-9-22-17(25)14(16(24)21-18(22)26)12-20-23-10-4-3-7-15(23)13-6-5-8-19-11-13/h2,5-6,8,11-12,15,25H,1,3-4,7,9-10H2,(H,21,24,26)/b20-12+
InChIKeyADMQHTWKLVKEIQ-UDWIEESQSA-N
MW355.40 g/mol
LogP1.38
Rot. Bonds5

About 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione

6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 135544677) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione
PubChem CID135544677
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C=N/N2CCCCC2c2cccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H21N5O3/c1-2-9-22-17(25)14(16(24)21-18(22)26)12-20-23-10-4-3-7-15(23)13-6-5-8-19-11-13/h2,5-6,8,11-12,15,25H,1,3-4,7,9-10H2,(H,21,24,26)/b20-12+
InChIKeyADMQHTWKLVKEIQ-UDWIEESQSA-N
XLogP1.38
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-(furan-2-ylmethyl)-6-hydroxy-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]iminomethyl]pyrimidine-2,4-dione
CID 135915594
1-(2-chlorophenyl)-6-hydroxy-5-[(E)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]iminomethyl]pyrimidine-2,4-dione
CID 135974367
1-butyl-6-hydroxy-5-[(E)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 135830646
1-butyl-6-hydroxy-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 136828579
1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione;propan-2-ol
CID 135517080
6-hydroxy-5-[(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 3312657
1-(3-chlorophenyl)-6-hydroxy-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 1386333
6-hydroxy-1-(3-methylphenyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 3415244
4-nitro-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]iminomethyl]phenol
CID 165344050
3-(4-methoxyphenyl)-2,6-dioxo-5-[(E)-(2-pyridin-1-ium-3-ylpiperidin-1-yl)iminomethyl]pyrimidin-4-olate
CID 135947989
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one
CID 171674206
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione (CID 135544677) is 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione is C=CCn1c(O)c(/C=N/N2CCCCC2c2cccnc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is ADMQHTWKLVKEIQ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-2-9-22-17(25)14(16(24)21-18(22)26)12-20-23-10-4-3-7-15(23)13-6-5-8-19-11-13/h2,5-6,8,11-12,15,25H,1,3-4,7,9-10H2,(H,21,24,26)/b20-12+.
What are the key properties of 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 355.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-prop-2-enyl-5-[(E)-(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135544677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).