3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione

C10H11N3O2S — CID 107103906

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(=O)cc[nH]c2=O)sc1C
InChIInChI=1S/C10H11N3O2S/c1-6-7(2)16-8(12-6)5-13-9(14)3-4-11-10(13)15/h3-4H,5H2,1-2H3,(H,11,15)
InChIKeySDVUFGBHYKFDPO-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.66
Rot. Bonds2

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 107103906) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID107103906
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(=O)cc[nH]c2=O)sc1C
InChIInChI=1S/C10H11N3O2S/c1-6-7(2)16-8(12-6)5-13-9(14)3-4-11-10(13)15/h3-4H,5H2,1-2H3,(H,11,15)
InChIKeySDVUFGBHYKFDPO-UHFFFAOYSA-N
XLogP0.66
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
CID 115687909
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-one
CID 115687973
3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
CID 87497402
(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 97002751
3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 107104005
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82915931
(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 164638804
4,5-dimethyl-2-[(4-nitroindol-1-yl)methyl]-1,3-thiazole
CID 115687971
azane;2-ethyl-4,5-dimethyl-1,3-thiazole
CID 69061774
[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718078
3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027203
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 75373679

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione (CID 107103906) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione is Cc1nc(Cn2c(=O)cc[nH]c2=O)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is SDVUFGBHYKFDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6-7(2)16-8(12-6)5-13-9(14)3-4-11-10(13)15/h3-4H,5H2,1-2H3,(H,11,15).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 237.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107103906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).