2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one

C10H10N2O2 — CID 136692914

IUPAC2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccco2)cc(=O)[nH]1
InChIInChI=1S/C10H10N2O2/c1-2-9-11-7(6-10(13)12-9)8-4-3-5-14-8/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyMHJMXVHRJRFJRA-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.59
Rot. Bonds2

About 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one

2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one (PubChem CID 136692914) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
PubChem CID136692914
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccco2)cc(=O)[nH]1
InChIInChI=1S/C10H10N2O2/c1-2-9-11-7(6-10(13)12-9)8-4-3-5-14-8/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyMHJMXVHRJRFJRA-UHFFFAOYSA-N
XLogP1.59
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one (CID 136692914) is 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one is CCc1nc(-c2ccco2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is MHJMXVHRJRFJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-9-11-7(6-10(13)12-9)8-4-3-5-14-8/h3-6H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 190.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).