1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione

C11H17N2O3P — CID 91234454

IUPAC1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C=C\CCP(C)(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N2O3P/c1-9-8-13(11(15)12-10(9)14)6-4-5-7-17(2,3)16/h4,6,8H,5,7H2,1-3H3,(H,12,14,15)/b6-4-
InChIKeyAKOAWLFTUUQPAJ-XQRVVYSFSA-N
MW256.24 g/mol
LogP1.33
Rot. Bonds4

About 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione

1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione (PubChem CID 91234454) has the molecular formula C11H17N2O3P and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione
PubChem CID91234454
Molecular FormulaC11H17N2O3P
Molecular Weight256.24 g/mol
Exact Mass256.10
IUPAC Name1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C=C\CCP(C)(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N2O3P/c1-9-8-13(11(15)12-10(9)14)6-4-5-7-17(2,3)16/h4,6,8H,5,7H2,1-3H3,(H,12,14,15)/b6-4-
InChIKeyAKOAWLFTUUQPAJ-XQRVVYSFSA-N
XLogP1.33
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione
CID 11344568
1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione
CID 5470771
5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione
CID 54009463
1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione
CID 15509411
1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 89429421
sodium bis[(Z)-2-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate
CID 23681372
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358
1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 102145297
5-methyl-1-undec-10-enylpyrimidine-2,4-dione
CID 102262411
1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 6536769
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
CID 20676015

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione (CID 91234454) is 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione is Cc1cn(/C=C\CCP(C)(C)=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is AKOAWLFTUUQPAJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H17N2O3P/c1-9-8-13(11(15)12-10(9)14)6-4-5-7-17(2,3)16/h4,6,8H,5,7H2,1-3H3,(H,12,14,15)/b6-4-.
What are the key properties of 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione?
1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 256.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 91234454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).