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

C11H15N3OS — CID 118729735

IUPAC3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCCNc1nc2ccsc2c(=O)n1CC
InChIInChI=1S/C11H15N3OS/c1-3-6-12-11-13-8-5-7-16-9(8)10(15)14(11)4-2/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyWGMGJOBVFGMWCP-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.30
Rot. Bonds4

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

3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729735) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729735
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCCNc1nc2ccsc2c(=O)n1CC
InChIInChI=1S/C11H15N3OS/c1-3-6-12-11-13-8-5-7-16-9(8)10(15)14(11)4-2/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyWGMGJOBVFGMWCP-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
2-(Cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one
CID 86280445
2-(Cyclopentylamino)-3-Ethyl-7-Ethynylthieno[3,2-D]pyrimidin-4(3h)-One
CID 118719996
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
2-(Cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 118719994
2-(Cyclopentylamino)-7-ethenyl-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719995
2-Anilino-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118724077
3-Ethyl-2-(2-methylanilino)thieno[3,2-d]pyrimidin-4-one
CID 118724078
3-Ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one
CID 118724083
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one (CID 118729735) is 3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one is CCCNc1nc2ccsc2c(=O)n1CC.
What is the InChIKey of 3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WGMGJOBVFGMWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-6-12-11-13-8-5-7-16-9(8)10(15)14(11)4-2/h5,7H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 237.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).