5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one

C16H16N2OS — CID 19245041

IUPAC5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(C(C)c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C16H16N2OS/c1-10-12(3)20-15-14(10)16(19)18(9-17-15)11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3
InChIKeyIPTPHAOWGSYBDW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.68
Rot. Bonds2

About 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 19245041) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID19245041
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(C(C)c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C16H16N2OS/c1-10-12(3)20-15-14(10)16(19)18(9-17-15)11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3
InChIKeyIPTPHAOWGSYBDW-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 17013524
benzyl (2S)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 731227
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 2792733
5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one
CID 62563777
benzyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate
CID 4525479
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 6926063
3-[1-(ethylamino)propan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 62563942
(2S)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate
CID 6929836
(2S)-N-(4-bromophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730231
(2S)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 7730536
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-[[4-hydroxy-1-(2-phenylpropyl)piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 46955002

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one (CID 19245041) is 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(C(C)c3ccccc3)c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IPTPHAOWGSYBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-12(3)20-15-14(10)16(19)18(9-17-15)11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3.
What are the key properties of 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19245041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).