6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one

C12H16N2OS — CID 28692485

IUPAC6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(C(C)C)c(C)nc2s1
InChIInChI=1S/C12H16N2OS/c1-5-9-6-10-11(16-9)13-8(4)14(7(2)3)12(10)15/h6-7H,5H2,1-4H3
InChIKeyPFOQJFYIVFFGJA-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.91
Rot. Bonds2

About 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one

6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 28692485) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID28692485
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(C(C)C)c(C)nc2s1
InChIInChI=1S/C12H16N2OS/c1-5-9-6-10-11(16-9)13-8(4)14(7(2)3)12(10)15/h6-7H,5H2,1-4H3
InChIKeyPFOQJFYIVFFGJA-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethyl-4-oxo-2-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 39158813
6-ethyl-2-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 28692570
2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091
N-butyl-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 28692371
3-[[2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-methylamino]propanoic acid
CID 82032691
3-[3-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]propanoic acid
CID 82032938
ethyl 4-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692459
3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one
CID 28692529
2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 39158870
2-[(1R)-1-chloroethyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93213420
ethyl 3-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692467
6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 28692564

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one (CID 28692485) is 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(C(C)C)c(C)nc2s1.
What is the InChIKey of 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is PFOQJFYIVFFGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-5-9-6-10-11(16-9)13-8(4)14(7(2)3)12(10)15/h6-7H,5H2,1-4H3.
What are the key properties of 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28692485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).