3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C24H32N2O5S2 — CID 24573460

IUPAC3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCCCn1c(SCC(O)COCc2ccc(OC)c(OC)c2)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C24H32N2O5S2/c1-6-7-10-26-23(28)21-15(2)16(3)33-22(21)25-24(26)32-14-18(27)13-31-12-17-8-9-19(29-4)20(11-17)30-5/h8-9,11,18,27H,6-7,10,12-14H2,1-5H3
InChIKeyOFKQTXRXLMHOEF-UHFFFAOYSA-N
MW492.66 g/mol
LogP4.56
Rot. Bonds12

About 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 24573460) has the molecular formula C24H32N2O5S2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID24573460
Molecular FormulaC24H32N2O5S2
Molecular Weight492.66 g/mol
Exact Mass492.18
IUPAC Name3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCCCn1c(SCC(O)COCc2ccc(OC)c(OC)c2)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C24H32N2O5S2/c1-6-7-10-26-23(28)21-15(2)16(3)33-22(21)25-24(26)32-14-18(27)13-31-12-17-8-9-19(29-4)20(11-17)30-5/h8-9,11,18,27H,6-7,10,12-14H2,1-5H3
InChIKeyOFKQTXRXLMHOEF-UHFFFAOYSA-N
XLogP4.56
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-butyl-2-(2-ethoxyethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 112774378
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 46682659
(2S)-1-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 51645158
2-[[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CID 8578066
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 38866363
2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 7183802
2-[3-(3-ethoxypropyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-methylacetamide
CID 7738973
3-butyl-2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 22830706
N-(5-bromo-2-pyridinyl)-2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 46666235
2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile
CID 42979358
3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 23411257
3-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-methylpropane-1-sulfonamide
CID 56529051

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 24573460) is 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is CCCCn1c(SCC(O)COCc2ccc(OC)c(OC)c2)nc2sc(C)c(C)c2c1=O.
What is the InChIKey of 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is OFKQTXRXLMHOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S2/c1-6-7-10-26-23(28)21-15(2)16(3)33-22(21)25-24(26)32-14-18(27)13-31-12-17-8-9-19(29-4)20(11-17)30-5/h8-9,11,18,27H,6-7,10,12-14H2,1-5H3.
What are the key properties of 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 492.66 g/mol, XLogP of 4.56, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 24573460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).