6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione

C5H6ClN2O2P — CID 163703024

IUPAC6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(P)c1=O
InChIInChI=1S/C5H6ClN2O2P/c1-7-4(9)2-3(6)8(11)5(7)10/h2H,11H2,1H3
InChIKeyKCRCVSLCUSYLEH-UHFFFAOYSA-N
MW192.54 g/mol
LogP-0.16
Rot. Bonds

About 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione

6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione (PubChem CID 163703024) has the molecular formula C5H6ClN2O2P and a molecular weight of 192.54 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione
PubChem CID163703024
Molecular FormulaC5H6ClN2O2P
Molecular Weight192.54 g/mol
Exact Mass191.99
IUPAC Name6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(P)c1=O
InChIInChI=1S/C5H6ClN2O2P/c1-7-4(9)2-3(6)8(11)5(7)10/h2H,11H2,1H3
InChIKeyKCRCVSLCUSYLEH-UHFFFAOYSA-N
XLogP-0.16
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.54
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione (CID 163703024) is 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione is Cn1c(=O)cc(Cl)n(P)c1=O.
What is the InChIKey of 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione?
The InChIKey is KCRCVSLCUSYLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN2O2P/c1-7-4(9)2-3(6)8(11)5(7)10/h2H,11H2,1H3.
What are the key properties of 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione?
6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione has a molecular weight of 192.54 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione is sourced from PubChem (CID 163703024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).