4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one

C12H16N4OS — CID 80654666

IUPAC4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one
SMILESCNc1cc(C)nc(Cn2c(C)c(C)sc2=O)n1
InChIInChI=1S/C12H16N4OS/c1-7-5-10(13-4)15-11(14-7)6-16-8(2)9(3)18-12(16)17/h5H,6H2,1-4H3,(H,13,14,15)
InChIKeyIXXQHMNTTLAWSN-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.72
Rot. Bonds3

About 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one

4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one (PubChem CID 80654666) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one
PubChem CID80654666
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one
SMILESCNc1cc(C)nc(Cn2c(C)c(C)sc2=O)n1
InChIInChI=1S/C12H16N4OS/c1-7-5-10(13-4)15-11(14-7)6-16-8(2)9(3)18-12(16)17/h5H,6H2,1-4H3,(H,13,14,15)
InChIKeyIXXQHMNTTLAWSN-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one (CID 80654666) is 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one is CNc1cc(C)nc(Cn2c(C)c(C)sc2=O)n1.
What is the InChIKey of 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one?
The InChIKey is IXXQHMNTTLAWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-5-10(13-4)15-11(14-7)6-16-8(2)9(3)18-12(16)17/h5H,6H2,1-4H3,(H,13,14,15).
What are the key properties of 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one?
4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 80654666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).