4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine

C16H17N3O2S — CID 17411074

IUPAC4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(SCCN3CCOCC3)ncnc12
InChIInChI=1S/C16H17N3O2S/c1-2-4-13-12(3-1)14-15(21-13)16(18-11-17-14)22-10-7-19-5-8-20-9-6-19/h1-4,11H,5-10H2
InChIKeyNTBFZJCWZZFHPI-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.80
Rot. Bonds4

About 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine

4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 17411074) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID17411074
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(SCCN3CCOCC3)ncnc12
InChIInChI=1S/C16H17N3O2S/c1-2-4-13-12(3-1)14-15(21-13)16(18-11-17-14)22-10-7-19-5-8-20-9-6-19/h1-4,11H,5-10H2
InChIKeyNTBFZJCWZZFHPI-UHFFFAOYSA-N
XLogP2.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 3131853
4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
CID 24671441
4-(naphthalen-1-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 2158341
4-(pyridin-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 17422663
11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline
CID 171933673
N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 11660269
N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 35784873
1-(1-benzofuran-2-yl)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanone
CID 2029081
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide
CID 8665174
4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine
CID 2158339
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanone
CID 9489698

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine (CID 17411074) is 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(c1)oc1c(SCCN3CCOCC3)ncnc12.
What is the InChIKey of 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is NTBFZJCWZZFHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-4-13-12(3-1)14-15(21-13)16(18-11-17-14)22-10-7-19-5-8-20-9-6-19/h1-4,11H,5-10H2.
What are the key properties of 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine?
4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 315.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 17411074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).