oxolan-2-one;pyrimidine

C8H10N2O2 — CID 159701872

IUPACoxolan-2-one;pyrimidine
SMILESO=C1CCCO1.c1cncnc1
InChIInChI=1S/C4H4N2.C4H6O2/c1-2-5-4-6-3-1;5-4-2-1-3-6-4/h1-4H;1-3H2
InChIKeyMXSMAUPZWMSUCN-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.80
Rot. Bonds

About oxolan-2-one;pyrimidine

oxolan-2-one;pyrimidine (PubChem CID 159701872) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is oxolan-2-one;pyrimidine.

Molecular Properties

Compound Nameoxolan-2-one;pyrimidine
PubChem CID159701872
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameoxolan-2-one;pyrimidine
SMILESO=C1CCCO1.c1cncnc1
InChIInChI=1S/C4H4N2.C4H6O2/c1-2-5-4-6-3-1;5-4-2-1-3-6-4/h1-4H;1-3H2
InChIKeyMXSMAUPZWMSUCN-UHFFFAOYSA-N
XLogP0.80
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-one;pyrimidine?
The IUPAC name of oxolan-2-one;pyrimidine (CID 159701872) is oxolan-2-one;pyrimidine.
What is the SMILES notation for oxolan-2-one;pyrimidine?
The canonical SMILES for oxolan-2-one;pyrimidine is O=C1CCCO1.c1cncnc1.
What is the InChIKey of oxolan-2-one;pyrimidine?
The InChIKey is MXSMAUPZWMSUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C4H6O2/c1-2-5-4-6-3-1;5-4-2-1-3-6-4/h1-4H;1-3H2.
What are the key properties of oxolan-2-one;pyrimidine?
oxolan-2-one;pyrimidine has a molecular weight of 166.18 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-one;pyrimidine is sourced from PubChem (CID 159701872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).