7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H12N4O2S — CID 99825192

IUPAC7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ncn(Cc2cc(=O)n3ccsc3n2)c(=O)c1C
InChIInChI=1S/C13H12N4O2S/c1-8-9(2)14-7-16(12(8)19)6-10-5-11(18)17-3-4-20-13(17)15-10/h3-5,7H,6H2,1-2H3
InChIKeyIYEZHMWYJOMCNC-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.98
Rot. Bonds2

About 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 99825192) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID99825192
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ncn(Cc2cc(=O)n3ccsc3n2)c(=O)c1C
InChIInChI=1S/C13H12N4O2S/c1-8-9(2)14-7-16(12(8)19)6-10-5-11(18)17-3-4-20-13(17)15-10/h3-5,7H,6H2,1-2H3
InChIKeyIYEZHMWYJOMCNC-UHFFFAOYSA-N
XLogP0.98
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22197645
N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469312
7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470619
6,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-5-one
CID 13105849
3-Methyl-6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4424550
7-[(4-Ethylpiperazino)methyl]-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 6469928
7-[(dimethylamino)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17376217
7-[[4-(3-Methylbutanoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17449690
7-[(4-Butanoylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17449693
7-[[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17450606
7-[(4-Propylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22196991
7-[[4-[3-(4-Methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920631

Frequently Asked Questions

What is the IUPAC name of 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 99825192) is 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ncn(Cc2cc(=O)n3ccsc3n2)c(=O)c1C.
What is the InChIKey of 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IYEZHMWYJOMCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-9(2)14-7-16(12(8)19)6-10-5-11(18)17-3-4-20-13(17)15-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 288.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 99825192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).