6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one

C12H16N2OS — CID 733713

IUPAC6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CC(C)C)cnc2s1
InChIInChI=1S/C12H16N2OS/c1-4-9-5-10-11(16-9)13-7-14(12(10)15)6-8(2)3/h5,7-8H,4,6H2,1-3H3
InChIKeyWPBKKNCTLRFOAM-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.68
Rot. Bonds3

About 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 733713) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID733713
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CC(C)C)cnc2s1
InChIInChI=1S/C12H16N2OS/c1-4-9-5-10-11(16-9)13-7-14(12(10)15)6-8(2)3/h5,7-8H,4,6H2,1-3H3
InChIKeyWPBKKNCTLRFOAM-UHFFFAOYSA-N
XLogP2.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one (CID 733713) is 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(CC(C)C)cnc2s1.
What is the InChIKey of 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WPBKKNCTLRFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-9-5-10-11(16-9)13-7-14(12(10)15)6-8(2)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 733713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).