[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium

C20H23N4OS+ — CID 9213486

IUPAC[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1nc(Oc2ccc(C#N)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H22N4OS/c1-5-24(6-2)12-17-22-19(18-13(3)14(4)26-20(18)23-17)25-16-9-7-15(11-21)8-10-16/h7-10H,5-6,12H2,1-4H3/p+1
InChIKeyPTPVYOJGBMHFQM-UHFFFAOYSA-O
MW367.50 g/mol
LogP3.40
Rot. Bonds6

About [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium

[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium (PubChem CID 9213486) has the molecular formula C20H23N4OS+ and a molecular weight of 367.50 g/mol. Its IUPAC name is [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium.

Molecular Properties

Compound Name[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
PubChem CID9213486
Molecular FormulaC20H23N4OS+
Molecular Weight367.50 g/mol
Exact Mass367.16
IUPAC Name[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1nc(Oc2ccc(C#N)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H22N4OS/c1-5-24(6-2)12-17-22-19(18-13(3)14(4)26-20(18)23-17)25-16-9-7-15(11-21)8-10-16/h7-10H,5-6,12H2,1-4H3/p+1
InChIKeyPTPVYOJGBMHFQM-UHFFFAOYSA-O
XLogP3.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(cyanomethyl)phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9108685
[4-(4-cyano-2-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9195355
[4-(4-acetyl-2-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9112514
N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
CID 9280227
diethyl-[[4-(4-formyl-2-nitrophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
CID 9111830
3-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
CID 9194917
3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 9195351
2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109097
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 81000728
2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 9311095
N-[[5,6-dimethyl-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]thieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 17437125
2-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
CID 9327147

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium?
The IUPAC name of [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium (CID 9213486) is [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium.
What is the SMILES notation for [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium?
The canonical SMILES for [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium is CC[NH+](CC)Cc1nc(Oc2ccc(C#N)cc2)c2c(C)c(C)sc2n1.
What is the InChIKey of [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium?
The InChIKey is PTPVYOJGBMHFQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N4OS/c1-5-24(6-2)12-17-22-19(18-13(3)14(4)26-20(18)23-17)25-16-9-7-15(11-21)8-10-16/h7-10H,5-6,12H2,1-4H3/p+1.
What are the key properties of [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium?
[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium has a molecular weight of 367.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium is sourced from PubChem (CID 9213486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).