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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Related Compounds

3-[[2-[Cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one
CID 86769619
3-[(2-Methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126857674
3-(1,3-Thiazol-4-ylmethyl)pyrimidin-4-one
CID 115696912
6-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-prop-2-enyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 60425204
3-[[4-(Chloromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-one
CID 63769732
3-[3-[4-(Chloromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-4-one
CID 63769734
3-[(2-Amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
CID 63769880
1-Methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63810438
1-Methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63810602
1-Ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63811376
3-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63811885
5-Iodo-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
CID 66308218

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).