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

C8H8N4OS — CID 63769880

IUPAC3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESNc1nc(Cn2cnccc2=O)cs1
InChIInChI=1S/C8H8N4OS/c9-8-11-6(4-14-8)3-12-5-10-2-1-7(12)13/h1-2,4-5H,3H2,(H2,9,11)
InChIKeyYNKVFHYVGTUIMA-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.33
Rot. Bonds2

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

3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 63769880) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
PubChem CID63769880
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESNc1nc(Cn2cnccc2=O)cs1
InChIInChI=1S/C8H8N4OS/c9-8-11-6(4-14-8)3-12-5-10-2-1-7(12)13/h1-2,4-5H,3H2,(H2,9,11)
InChIKeyYNKVFHYVGTUIMA-UHFFFAOYSA-N
XLogP0.33
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (CID 63769880) is 3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is Nc1nc(Cn2cnccc2=O)cs1.
What is the InChIKey of 3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is YNKVFHYVGTUIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-8-11-6(4-14-8)3-12-5-10-2-1-7(12)13/h1-2,4-5H,3H2,(H2,9,11).
What are the key properties of 3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 208.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 63769880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).