4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one

C13H14N2OS — CID 135975441

IUPAC4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(C3CC3)cc(=O)[nH]2)s1
InChIInChI=1S/C13H14N2OS/c1-2-9-5-6-11(17-9)13-14-10(8-3-4-8)7-12(16)15-13/h5-8H,2-4H2,1H3,(H,14,15,16)
InChIKeyOIOWGHMKTVVICQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.94
Rot. Bonds3

About 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one (PubChem CID 135975441) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
PubChem CID135975441
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(C3CC3)cc(=O)[nH]2)s1
InChIInChI=1S/C13H14N2OS/c1-2-9-5-6-11(17-9)13-14-10(8-3-4-8)7-12(16)15-13/h5-8H,2-4H2,1H3,(H,14,15,16)
InChIKeyOIOWGHMKTVVICQ-UHFFFAOYSA-N
XLogP2.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one (CID 135975441) is 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one is CCc1ccc(-c2nc(C3CC3)cc(=O)[nH]2)s1.
What is the InChIKey of 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is OIOWGHMKTVVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-9-5-6-11(17-9)13-14-10(8-3-4-8)7-12(16)15-13/h5-8H,2-4H2,1H3,(H,14,15,16).
What are the key properties of 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one has a molecular weight of 246.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).