4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine

C18H18N6O2S — CID 24671441

IUPAC4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCCn1c(Sc2ncnc3c2oc2ccccc23)nnc1N1CCOCC1
InChIInChI=1S/C18H18N6O2S/c1-2-24-17(23-7-9-25-10-8-23)21-22-18(24)27-16-15-14(19-11-20-16)12-5-3-4-6-13(12)26-15/h3-6,11H,2,7-10H2,1H3
InChIKeyFPKVPSRWJQENPT-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.98
Rot. Bonds4

About 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine

4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 24671441) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID24671441
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCCn1c(Sc2ncnc3c2oc2ccccc23)nnc1N1CCOCC1
InChIInChI=1S/C18H18N6O2S/c1-2-24-17(23-7-9-25-10-8-23)21-22-18(24)27-16-15-14(19-11-20-16)12-5-3-4-6-13(12)26-15/h3-6,11H,2,7-10H2,1H3
InChIKeyFPKVPSRWJQENPT-UHFFFAOYSA-N
XLogP2.98
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine
CID 24671449
4-(2-morpholin-4-ylethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 17411074
1-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-phenoxypropan-2-ol
CID 42896230
4-[4-ethyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 8838342
4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 2877182
1-(2-chlorophenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 8838332
4-[4-ethyl-5-(1-naphthalen-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine
CID 60540954
4-benzylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 3131853
4-(naphthalen-1-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 2158341
4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39772968
4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39742965
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
CID 24656795

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine (CID 24671441) is 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine is CCn1c(Sc2ncnc3c2oc2ccccc23)nnc1N1CCOCC1.
What is the InChIKey of 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is FPKVPSRWJQENPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-2-24-17(23-7-9-25-10-8-23)21-22-18(24)27-16-15-14(19-11-20-16)12-5-3-4-6-13(12)26-15/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine?
4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 382.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 24671441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).