propane;1H-pyrimidine-2,4-dione

C7H12N2O2 — CID 19366284

IUPACpropane;1H-pyrimidine-2,4-dione
SMILESCCC.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.C3H8/c7-3-1-2-5-4(8)6-3;1-3-2/h1-2H,(H2,5,6,7,8);3H2,1-2H3
InChIKeyCWPZHXHUHGXEBR-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.48
Rot. Bonds

About propane;1H-pyrimidine-2,4-dione

propane;1H-pyrimidine-2,4-dione (PubChem CID 19366284) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is propane;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Namepropane;1H-pyrimidine-2,4-dione
PubChem CID19366284
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Namepropane;1H-pyrimidine-2,4-dione
SMILESCCC.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.C3H8/c7-3-1-2-5-4(8)6-3;1-3-2/h1-2H,(H2,5,6,7,8);3H2,1-2H3
InChIKeyCWPZHXHUHGXEBR-UHFFFAOYSA-N
XLogP0.48
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propane;1H-pyrimidine-2,4-dione?
The IUPAC name of propane;1H-pyrimidine-2,4-dione (CID 19366284) is propane;1H-pyrimidine-2,4-dione.
What is the SMILES notation for propane;1H-pyrimidine-2,4-dione?
The canonical SMILES for propane;1H-pyrimidine-2,4-dione is CCC.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of propane;1H-pyrimidine-2,4-dione?
The InChIKey is CWPZHXHUHGXEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C3H8/c7-3-1-2-5-4(8)6-3;1-3-2/h1-2H,(H2,5,6,7,8);3H2,1-2H3.
What are the key properties of propane;1H-pyrimidine-2,4-dione?
propane;1H-pyrimidine-2,4-dione has a molecular weight of 156.19 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 19366284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).