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

C12H16N2OS — CID 118729737

IUPAC3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(CC(C)C)nc2ccsc2c1=O
InChIInChI=1S/C12H16N2OS/c1-4-14-10(7-8(2)3)13-9-5-6-16-11(9)12(14)15/h5-6,8H,4,7H2,1-3H3
InChIKeyPWJANYGYRSPSAC-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.68
Rot. Bonds3

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

3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729737) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729737
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(CC(C)C)nc2ccsc2c1=O
InChIInChI=1S/C12H16N2OS/c1-4-14-10(7-8(2)3)13-9-5-6-16-11(9)12(14)15/h5-6,8H,4,7H2,1-3H3
InChIKeyPWJANYGYRSPSAC-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 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one (CID 118729737) is 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one is CCn1c(CC(C)C)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is PWJANYGYRSPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-14-10(7-8(2)3)13-9-5-6-16-11(9)12(14)15/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(2-methylpropyl)thieno[3,2-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 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).