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

C9H9N3O2S — CID 63611571

IUPAC4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(Cc2nc(O)cc(=O)[nH]2)cs1
InChIInChI=1S/C9H9N3O2S/c1-5-10-6(4-15-5)2-7-11-8(13)3-9(14)12-7/h3-4H,2H2,1H3,(H2,11,12,13,14)
InChIKeyHXWKZIXZFNIMHI-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.83
Rot. Bonds2

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

4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 63611571) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
PubChem CID63611571
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(Cc2nc(O)cc(=O)[nH]2)cs1
InChIInChI=1S/C9H9N3O2S/c1-5-10-6(4-15-5)2-7-11-8(13)3-9(14)12-7/h3-4H,2H2,1H3,(H2,11,12,13,14)
InChIKeyHXWKZIXZFNIMHI-UHFFFAOYSA-N
XLogP0.83
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 114206203
5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 136729648
4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one
CID 67282201
ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 145305521
6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid
CID 62799012
2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005901
5-bromo-6-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-4-thione
CID 106482214
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2573534
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 103973317
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one (CID 63611571) is 4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one is Cc1nc(Cc2nc(O)cc(=O)[nH]2)cs1.
What is the InChIKey of 4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is HXWKZIXZFNIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-10-6(4-15-5)2-7-11-8(13)3-9(14)12-7/h3-4H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 223.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63611571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).