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

C15H15N3OS — CID 118724080

IUPAC3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2ccc(C)cc2)nc2ccsc2c1=O
InChIInChI=1S/C15H15N3OS/c1-3-18-14(19)13-12(8-9-20-13)17-15(18)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyCCPMJFCBBUOXBM-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.53
Rot. Bonds3

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

3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118724080) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118724080
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2ccc(C)cc2)nc2ccsc2c1=O
InChIInChI=1S/C15H15N3OS/c1-3-18-14(19)13-12(8-9-20-13)17-15(18)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyCCPMJFCBBUOXBM-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one (CID 118724080) is 3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one is CCn1c(Nc2ccc(C)cc2)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CCPMJFCBBUOXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-18-14(19)13-12(8-9-20-13)17-15(18)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118724080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).