4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C17H25N4O2S+ — CID 2125585

IUPAC4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCc1sc2nc(C[NH+]3CCOCC3)nc(N3CCOCC3)c2c1C
InChIInChI=1S/C17H24N4O2S/c1-12-13(2)24-17-15(12)16(21-5-9-23-10-6-21)18-14(19-17)11-20-3-7-22-8-4-20/h3-11H2,1-2H3/p+1
InChIKeyCPFQZWUAIJJDQO-UHFFFAOYSA-O
MW349.48 g/mol
LogP0.56
Rot. Bonds3

About 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 2125585) has the molecular formula C17H25N4O2S+ and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID2125585
Molecular FormulaC17H25N4O2S+
Molecular Weight349.48 g/mol
Exact Mass349.17
IUPAC Name4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCc1sc2nc(C[NH+]3CCOCC3)nc(N3CCOCC3)c2c1C
InChIInChI=1S/C17H24N4O2S/c1-12-13(2)24-17-15(12)16(21-5-9-23-10-6-21)18-14(19-17)11-20-3-7-22-8-4-20/h3-11H2,1-2H3/p+1
InChIKeyCPFQZWUAIJJDQO-UHFFFAOYSA-O
XLogP0.56
TPSA51.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

4-[(12-pyrrolidin-1-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)methyl]morpholin-4-ium
CID 2686201
N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9212139
4-[[4-(1-ethyltetrazol-5-yl)sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium
CID 9291199
4-[[5,6-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43069761
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 2427876
4-[[5,6-dimethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium
CID 9292015
4-[[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43069716
4-[[5,6-dimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium
CID 9213192
N-[(3-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281609
(2R,6R)-2,6-dimethyl-4-[10-(morpholin-4-ium-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]morpholine
CID 9211284
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2561349
4-chloro-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 2412396

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 2125585) is 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is Cc1sc2nc(C[NH+]3CCOCC3)nc(N3CCOCC3)c2c1C.
What is the InChIKey of 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is CPFQZWUAIJJDQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N4O2S/c1-12-13(2)24-17-15(12)16(21-5-9-23-10-6-21)18-14(19-17)11-20-3-7-22-8-4-20/h3-11H2,1-2H3/p+1.
What are the key properties of 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 349.48 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 2125585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).