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

C13H17N3O2S — CID 118729741

IUPAC3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCOCC2)nc2ccsc2c1=O
InChIInChI=1S/C13H17N3O2S/c1-2-16-12(17)11-10(5-8-19-11)15-13(16)14-9-3-6-18-7-4-9/h5,8-9H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyWEKCVPTZFCPBPM-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.07
Rot. Bonds3

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

3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729741) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729741
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCOCC2)nc2ccsc2c1=O
InChIInChI=1S/C13H17N3O2S/c1-2-16-12(17)11-10(5-8-19-11)15-13(16)14-9-3-6-18-7-4-9/h5,8-9H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyWEKCVPTZFCPBPM-UHFFFAOYSA-N
XLogP2.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(2-Ethoxy-2-oxoethyl)thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-1-piperidinecarboxylic acid ethyl ester
CID 3241294
Ethyl 4-[2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-D]pyrimidin-3(4H)-YL]tetrahydro-1(2H)-pyridinecarboxylate
CID 9550584
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
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
3-Methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
CID 118719987
2-(Cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one
CID 118719991
3-Ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729734
3-Ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729735
2-(Tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729738
2-(Cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729739

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one (CID 118729741) is 3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCOCC2)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WEKCVPTZFCPBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-16-12(17)11-10(5-8-19-11)15-13(16)14-9-3-6-18-7-4-9/h5,8-9H,2-4,6-7H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 279.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).