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

C13H16ClN3OS — CID 2442208

IUPAC4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(Cl)c2c1C
InChIInChI=1S/C13H16ClN3OS/c1-8-9(2)19-13-11(8)12(14)15-10(16-13)7-17-3-5-18-6-4-17/h3-7H2,1-2H3
InChIKeyIFNLFJLUYQMTKG-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.79
Rot. Bonds2

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

4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine (PubChem CID 2442208) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
PubChem CID2442208
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(Cl)c2c1C
InChIInChI=1S/C13H16ClN3OS/c1-8-9(2)19-13-11(8)12(14)15-10(16-13)7-17-3-5-18-6-4-17/h3-7H2,1-2H3
InChIKeyIFNLFJLUYQMTKG-UHFFFAOYSA-N
XLogP2.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-Chloro-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
CID 2402633
12-Chloro-10-(piperidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
CID 3564263
5,6-dimethyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4-thieno[2,3-d]pyrimidinamine
CID 2571309
1-Morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1440716
5,6,7,8-Tetrahydro-4-(4-morpholinyl)[1]benzothieno[2,3-d]pyrimidine
CID 722483
4-Chloro-2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2402141
4-({4-Chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl}methyl)morpholine
CID 2393289
1-({4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)-4-methylpiperidine
CID 2566108
2-(2-Isopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1440777
2-(5,6-Dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1463278
4-(2-Methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
CID 2220408
4-Chloro-2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
CID 2412394

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine (CID 2442208) is 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine is Cc1sc2nc(CN3CCOCC3)nc(Cl)c2c1C.
What is the InChIKey of 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
The InChIKey is IFNLFJLUYQMTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-8-9(2)19-13-11(8)12(14)15-10(16-13)7-17-3-5-18-6-4-17/h3-7H2,1-2H3.
What are the key properties of 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine has a molecular weight of 297.81 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine is sourced from PubChem (CID 2442208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).