3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C13H19N3OS — CID 62563942

IUPAC3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCNCC(C)n1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C13H19N3OS/c1-5-14-6-8(2)16-7-15-12-11(13(16)17)9(3)10(4)18-12/h7-8,14H,5-6H2,1-4H3
InChIKeyPIDAWAQQBSEUTD-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.25
Rot. Bonds4

About 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 62563942) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID62563942
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCNCC(C)n1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C13H19N3OS/c1-5-14-6-8(2)16-7-15-12-11(13(16)17)9(3)10(4)18-12/h7-8,14H,5-6H2,1-4H3
InChIKeyPIDAWAQQBSEUTD-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one
CID 62563777
(2S)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate
CID 6929836
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 19245041
(2S)-N-(4-bromophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730231
3-[2-hydroxy-3-(2-methylpropylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 115475629
(2S)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 7730536
benzyl (2S)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 731227
5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one
CID 61387977
benzyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate
CID 4525479
3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245053
butan-2-yl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 47588749

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 62563942) is 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is CCNCC(C)n1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is PIDAWAQQBSEUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-5-14-6-8(2)16-7-15-12-11(13(16)17)9(3)10(4)18-12/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 62563942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).