3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one

C11H11N3OS — CID 118740628

IUPAC3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1Cc1csc(C2CC2)n1
InChIInChI=1S/C11H11N3OS/c15-10-3-4-12-7-14(10)5-9-6-16-11(13-9)8-1-2-8/h3-4,6-8H,1-2,5H2
InChIKeyFJQPHANGOJHXPP-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.63
Rot. Bonds3

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

3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 118740628) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
PubChem CID118740628
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1Cc1csc(C2CC2)n1
InChIInChI=1S/C11H11N3OS/c15-10-3-4-12-7-14(10)5-9-6-16-11(13-9)8-1-2-8/h3-4,6-8H,1-2,5H2
InChIKeyFJQPHANGOJHXPP-UHFFFAOYSA-N
XLogP1.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (CID 118740628) is 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is O=c1ccncn1Cc1csc(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is FJQPHANGOJHXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-10-3-4-12-7-14(10)5-9-6-16-11(13-9)8-1-2-8/h3-4,6-8H,1-2,5H2.
What are the key properties of 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 233.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 118740628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).