2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one

C12H15N3OS — CID 118729740

IUPAC2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCC2)nc2ccsc2c1=O
InChIInChI=1S/C12H15N3OS/c1-2-15-11(16)10-9(6-7-17-10)14-12(15)13-8-4-3-5-8/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyVLGHUVDPAFTFQM-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.44
Rot. Bonds3

About 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one

2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118729740) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
PubChem CID118729740
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCC2)nc2ccsc2c1=O
InChIInChI=1S/C12H15N3OS/c1-2-15-11(16)10-9(6-7-17-10)14-12(15)13-8-4-3-5-8/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyVLGHUVDPAFTFQM-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.44
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-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-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
3-Ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729741
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283
3H-Thieno[3,2-d]pyrimidin-4-one, 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethylsulfanyl]-
CID 3677285

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (CID 118729740) is 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCC2)nc2ccsc2c1=O.
What is the InChIKey of 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is VLGHUVDPAFTFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-15-11(16)10-9(6-7-17-10)14-12(15)13-8-4-3-5-8/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 249.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).