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

C12H17N3OS — CID 118729738

IUPAC2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)(C)C)nc2ccsc2c1=O
InChIInChI=1S/C12H17N3OS/c1-5-15-10(16)9-8(6-7-17-9)13-11(15)14-12(2,3)4/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyMCRSMAHTXXHTSW-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.69
Rot. Bonds2

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

2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118729738) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
PubChem CID118729738
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)(C)C)nc2ccsc2c1=O
InChIInChI=1S/C12H17N3OS/c1-5-15-10(16)9-8(6-7-17-9)13-11(15)14-12(2,3)4/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyMCRSMAHTXXHTSW-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.69
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 2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (CID 118729738) is 2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is CCn1c(NC(C)(C)C)nc2ccsc2c1=O.
What is the InChIKey of 2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is MCRSMAHTXXHTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-15-10(16)9-8(6-7-17-9)13-11(15)14-12(2,3)4/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 251.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).