ethylphosphane;1-methylpyrimidine-2,4-dione

C7H13N2O2P — CID 175119511

IUPACethylphosphane;1-methylpyrimidine-2,4-dione
SMILESCCP.Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C2H7P/c1-7-3-2-4(8)6-5(7)9;1-2-3/h2-3H,1H3,(H,6,8,9);2-3H2,1H3
InChIKeyPBKJEQKUDIEMJG-UHFFFAOYSA-N
MW188.17 g/mol
LogP-0.05
Rot. Bonds

About ethylphosphane;1-methylpyrimidine-2,4-dione

ethylphosphane;1-methylpyrimidine-2,4-dione (PubChem CID 175119511) has the molecular formula C7H13N2O2P and a molecular weight of 188.17 g/mol. Its IUPAC name is ethylphosphane;1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Nameethylphosphane;1-methylpyrimidine-2,4-dione
PubChem CID175119511
Molecular FormulaC7H13N2O2P
Molecular Weight188.17 g/mol
Exact Mass188.07
IUPAC Nameethylphosphane;1-methylpyrimidine-2,4-dione
SMILESCCP.Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C2H7P/c1-7-3-2-4(8)6-5(7)9;1-2-3/h2-3H,1H3,(H,6,8,9);2-3H2,1H3
InChIKeyPBKJEQKUDIEMJG-UHFFFAOYSA-N
XLogP-0.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methylpyrimidine-2,4-dione
CID 91098384
(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione
CID 145045789
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-bromopyrimidine-2,4-dione
CID 18634533
1-(methylamino)pyrimidine-2,4-dione
CID 68682640
(2,4-dioxopyrimidin-1-yl) propanoate
CID 174912968

Frequently Asked Questions

What is the IUPAC name of ethylphosphane;1-methylpyrimidine-2,4-dione?
The IUPAC name of ethylphosphane;1-methylpyrimidine-2,4-dione (CID 175119511) is ethylphosphane;1-methylpyrimidine-2,4-dione.
What is the SMILES notation for ethylphosphane;1-methylpyrimidine-2,4-dione?
The canonical SMILES for ethylphosphane;1-methylpyrimidine-2,4-dione is CCP.Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of ethylphosphane;1-methylpyrimidine-2,4-dione?
The InChIKey is PBKJEQKUDIEMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C2H7P/c1-7-3-2-4(8)6-5(7)9;1-2-3/h2-3H,1H3,(H,6,8,9);2-3H2,1H3.
What are the key properties of ethylphosphane;1-methylpyrimidine-2,4-dione?
ethylphosphane;1-methylpyrimidine-2,4-dione has a molecular weight of 188.17 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphane;1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 175119511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).