1-chloropyrimidine-2,4-dione

C4H3ClN2O2 — CID 22398415

IUPAC1-chloropyrimidine-2,4-dione
SMILESO=c1ccn(Cl)c(=O)[nH]1
InChIInChI=1S/C4H3ClN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)
InChIKeySTEQWPADCGBGST-UHFFFAOYSA-N
MW146.53 g/mol
LogP-0.46
Rot. Bonds

About 1-chloropyrimidine-2,4-dione

1-chloropyrimidine-2,4-dione (PubChem CID 22398415) has the molecular formula C4H3ClN2O2 and a molecular weight of 146.53 g/mol. Its IUPAC name is 1-chloropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-chloropyrimidine-2,4-dione
PubChem CID22398415
Molecular FormulaC4H3ClN2O2
Molecular Weight146.53 g/mol
Exact Mass145.99
IUPAC Name1-chloropyrimidine-2,4-dione
SMILESO=c1ccn(Cl)c(=O)[nH]1
InChIInChI=1S/C4H3ClN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)
InChIKeySTEQWPADCGBGST-UHFFFAOYSA-N
XLogP-0.46
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.53
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloropyrimidine-2,4-dione?
The IUPAC name of 1-chloropyrimidine-2,4-dione (CID 22398415) is 1-chloropyrimidine-2,4-dione.
What is the SMILES notation for 1-chloropyrimidine-2,4-dione?
The canonical SMILES for 1-chloropyrimidine-2,4-dione is O=c1ccn(Cl)c(=O)[nH]1.
What is the InChIKey of 1-chloropyrimidine-2,4-dione?
The InChIKey is STEQWPADCGBGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9).
What are the key properties of 1-chloropyrimidine-2,4-dione?
1-chloropyrimidine-2,4-dione has a molecular weight of 146.53 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropyrimidine-2,4-dione is sourced from PubChem (CID 22398415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).