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

C10H15N2O3P — CID 90771512

IUPAC1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione
SMILESCP(C)(=O)CC/C=C\n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N2O3P/c1-16(2,15)8-4-3-6-12-7-5-9(13)11-10(12)14/h3,5-7H,4,8H2,1-2H3,(H,11,13,14)/b6-3-
InChIKeyAWVCMRJCJYCXHZ-UTCJRWHESA-N
MW242.22 g/mol
LogP1.02
Rot. Bonds4

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

1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione (PubChem CID 90771512) has the molecular formula C10H15N2O3P and a molecular weight of 242.22 g/mol. Its IUPAC name is 1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione
PubChem CID90771512
Molecular FormulaC10H15N2O3P
Molecular Weight242.22 g/mol
Exact Mass242.08
IUPAC Name1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione
SMILESCP(C)(=O)CC/C=C\n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N2O3P/c1-16(2,15)8-4-3-6-12-7-5-9(13)11-10(12)14/h3,5-7H,4,8H2,1-2H3,(H,11,13,14)/b6-3-
InChIKeyAWVCMRJCJYCXHZ-UTCJRWHESA-N
XLogP1.02
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.02
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

1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 91234454
1-[(E)-3-diethoxyphosphorylprop-2-enyl]pyrimidine-2,4-dione
CID 53325829
1-[(E)-pent-1-enyl]-5-propylpyrimidine-2,4-dione
CID 15509411
[2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea
CID 4622356
ethane;1-methylpyrimidine-2,4-dione
CID 91098384
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-[(E)-4-[hexadecyl(propyl)phosphoryl]but-2-enyl]pyrimidine-2,4-dione
CID 66876395
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
ethylphosphane;1-methylpyrimidine-2,4-dione
CID 175119511
1-prop-1-en-2-ylpyrimidine-2,4-dione
CID 144698021
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-bromopyrimidine-2,4-dione
CID 18634533

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione (CID 90771512) is 1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione is CP(C)(=O)CC/C=C\n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione?
The InChIKey is AWVCMRJCJYCXHZ-UTCJRWHESA-N. The full InChI is InChI=1S/C10H15N2O3P/c1-16(2,15)8-4-3-6-12-7-5-9(13)11-10(12)14/h3,5-7H,4,8H2,1-2H3,(H,11,13,14)/b6-3-.
What are the key properties of 1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione?
1-[(Z)-4-dimethylphosphorylbut-1-enyl]pyrimidine-2,4-dione has a molecular weight of 242.22 g/mol, XLogP of 1.02, 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]pyrimidine-2,4-dione is sourced from PubChem (CID 90771512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).