5-chloro-1H-pyrimidine-2,4-dione

C4H3ClN2O2 — CID 15758

IUPAC5-chloro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Cl)c(=O)[nH]1
InChIInChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyZFTBZKVVGZNMJR-UHFFFAOYSA-N
MW146.53 g/mol
LogP-0.28
Rot. Bonds

About 5-chloro-1H-pyrimidine-2,4-dione

5-chloro-1H-pyrimidine-2,4-dione (PubChem CID 15758) has the molecular formula C4H3ClN2O2 and a molecular weight of 146.53 g/mol. Its IUPAC name is 5-chloro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1H-pyrimidine-2,4-dione
PubChem CID15758
Molecular FormulaC4H3ClN2O2
Molecular Weight146.53 g/mol
Exact Mass145.99
IUPAC Name5-chloro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Cl)c(=O)[nH]1
InChIInChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyZFTBZKVVGZNMJR-UHFFFAOYSA-N
XLogP-0.28
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.53
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1H-pyrimidine-2,4-dione (CID 15758) is 5-chloro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1H-pyrimidine-2,4-dione is O=c1[nH]cc(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-1H-pyrimidine-2,4-dione?
The InChIKey is ZFTBZKVVGZNMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9).
What are the key properties of 5-chloro-1H-pyrimidine-2,4-dione?
5-chloro-1H-pyrimidine-2,4-dione has a molecular weight of 146.53 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).