3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one

C14H16N4OS — CID 84599541

IUPAC3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)c1nccn1CCn1cnc2ccsc2c1=O
InChIInChI=1S/C14H16N4OS/c1-10(2)13-15-4-5-17(13)6-7-18-9-16-11-3-8-20-12(11)14(18)19/h3-5,8-10H,6-7H2,1-2H3
InChIKeyYUWBGBRQEPJLNR-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.48
Rot. Bonds4

About 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 84599541) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID84599541
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)c1nccn1CCn1cnc2ccsc2c1=O
InChIInChI=1S/C14H16N4OS/c1-10(2)13-15-4-5-17(13)6-7-18-9-16-11-3-8-20-12(11)14(18)19/h3-5,8-10H,6-7H2,1-2H3
InChIKeyYUWBGBRQEPJLNR-UHFFFAOYSA-N
XLogP2.48
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-Imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245057
3-[1-(1H-imidazol-1-ylmethyl)propyl]-7-methylthieno[3,2-d]pyrimidin-4(3H)-one formate
CID 45933083
(4-((2-methyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)(thiophen-2-yl)methanone
CID 52992571
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 53591769
2-[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]thiophene-3-carbonitrile
CID 53603042
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 53620088
5-[3-(2-Propan-2-ylimidazol-1-yl)piperidine-1-carbonyl]thiophene-3-carboxamide
CID 53626072
3-(acetylamino)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 56742919
3-[2-(1-Ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one
CID 71995666
3-[2-(2-Propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 75433230
12-[(2,3-Dimethylimidazol-4-yl)methyl]-5-methyl-6-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
CID 92409831
5-Methyl-12-[(3-methylimidazol-4-yl)methyl]-6-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
CID 92424580

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one (CID 84599541) is 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one is CC(C)c1nccn1CCn1cnc2ccsc2c1=O.
What is the InChIKey of 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YUWBGBRQEPJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10(2)13-15-4-5-17(13)6-7-18-9-16-11-3-8-20-12(11)14(18)19/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 288.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 84599541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).