3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one

C12H16N4OS — CID 79774469

IUPAC3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNc1ncc(Cn2c(C)nc(C)cc2=O)s1
InChIInChI=1S/C12H16N4OS/c1-4-13-12-14-6-10(18-12)7-16-9(3)15-8(2)5-11(16)17/h5-6H,4,7H2,1-3H3,(H,13,14)
InChIKeyJUJZLKZIHVWYMC-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.80
Rot. Bonds4

About 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one

3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 79774469) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one
PubChem CID79774469
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNc1ncc(Cn2c(C)nc(C)cc2=O)s1
InChIInChI=1S/C12H16N4OS/c1-4-13-12-14-6-10(18-12)7-16-9(3)15-8(2)5-11(16)17/h5-6H,4,7H2,1-3H3,(H,13,14)
InChIKeyJUJZLKZIHVWYMC-UHFFFAOYSA-N
XLogP1.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one (CID 79774469) is 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one is CCNc1ncc(Cn2c(C)nc(C)cc2=O)s1.
What is the InChIKey of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is JUJZLKZIHVWYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-13-12-14-6-10(18-12)7-16-9(3)15-8(2)5-11(16)17/h5-6H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one?
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 79774469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).