6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

C21H23N3O3S — CID 7636696

IUPAC6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(CC(=O)N4CCC[C@H](C)C4)c(=O)c3s2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-4-3-9-23(11-14)19(25)12-24-13-22-17-10-18(28-20(17)21(24)26)15-5-7-16(27-2)8-6-15/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyYIOZBYFEKUPVBO-AWEZNQCLSA-N
MW397.50 g/mol
LogP3.39
Rot. Bonds4

About 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 7636696) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID7636696
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(CC(=O)N4CCC[C@H](C)C4)c(=O)c3s2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-4-3-9-23(11-14)19(25)12-24-13-22-17-10-18(28-20(17)21(24)26)15-5-7-16(27-2)8-6-15/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyYIOZBYFEKUPVBO-AWEZNQCLSA-N
XLogP3.39
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 51582551
3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 7636710
N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55409251
2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7636682
3-(3-hydroxypropyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 110892016
N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 51582557
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
N-(4-bromophenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55412333
(2-oxo-2-propan-2-yloxyethyl) 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 37170753
pyridin-2-ylmethyl 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 55414172
N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 7636955
3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 55496829

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (CID 7636696) is 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(CC(=O)N4CCC[C@H](C)C4)c(=O)c3s2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YIOZBYFEKUPVBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-4-3-9-23(11-14)19(25)12-24-13-22-17-10-18(28-20(17)21(24)26)15-5-7-16(27-2)8-6-15/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 397.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7636696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).