6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one

C14H17N3OS — CID 84591742

IUPAC6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESCCc1nc(Cn2cnc(C3CCC3)cc2=O)cs1
InChIInChI=1S/C14H17N3OS/c1-2-13-16-11(8-19-13)7-17-9-15-12(6-14(17)18)10-4-3-5-10/h6,8-10H,2-5,7H2,1H3
InChIKeyIEARCWGFNGXQOS-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.58
Rot. Bonds4

About 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one

6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 84591742) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
PubChem CID84591742
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESCCc1nc(Cn2cnc(C3CCC3)cc2=O)cs1
InChIInChI=1S/C14H17N3OS/c1-2-13-16-11(8-19-13)7-17-9-15-12(6-14(17)18)10-4-3-5-10/h6,8-10H,2-5,7H2,1H3
InChIKeyIEARCWGFNGXQOS-UHFFFAOYSA-N
XLogP2.58
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (CID 84591742) is 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is CCc1nc(Cn2cnc(C3CCC3)cc2=O)cs1.
What is the InChIKey of 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is IEARCWGFNGXQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-13-16-11(8-19-13)7-17-9-15-12(6-14(17)18)10-4-3-5-10/h6,8-10H,2-5,7H2,1H3.
What are the key properties of 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 275.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 84591742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).