3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C12H16N2OS — CID 19245053

IUPAC3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(C(C)(C)C)c(=O)c2c1C
InChIInChI=1S/C12H16N2OS/c1-7-8(2)16-10-9(7)11(15)14(6-13-10)12(3,4)5/h6H,1-5H3
InChIKeyFCEXVAXCKMWPTQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.83
Rot. Bonds

About 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 19245053) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID19245053
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(C(C)(C)C)c(=O)c2c1C
InChIInChI=1S/C12H16N2OS/c1-7-8(2)16-10-9(7)11(15)14(6-13-10)12(3,4)5/h6H,1-5H3
InChIKeyFCEXVAXCKMWPTQ-UHFFFAOYSA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[2-(dimethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245056
2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 39164641
3-[(2R)-2,3-dihydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7232415
3-[3-(dimethylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245042
5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 19245041
5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 930144
3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 102735011
3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 734927
5,6-dimethyl-3-[2-(sulfanylmethyl)prop-2-enyl]thieno[2,3-d]pyrimidin-4-one
CID 103073948
3-[2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 154807996
(3,3-dimethyl-2-oxobutyl) 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7939646

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 19245053) is 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(C(C)(C)C)c(=O)c2c1C.
What is the InChIKey of 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is FCEXVAXCKMWPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7-8(2)16-10-9(7)11(15)14(6-13-10)12(3,4)5/h6H,1-5H3.
What are the key properties of 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19245053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).