2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine

C21H17N3O — CID 167090774

IUPAC2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine
SMILESC=Cc1c(C=C)n(-c2ncc3oc(C)c(C=C)c3n2)c2ccccc12
InChIInChI=1S/C21H17N3O/c1-5-14-13(4)25-19-12-22-21(23-20(14)19)24-17(7-3)15(6-2)16-10-8-9-11-18(16)24/h5-12H,1-3H2,4H3
InChIKeyAUZRPDVVOFASLM-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.40
Rot. Bonds4

About 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine

2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine (PubChem CID 167090774) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine
PubChem CID167090774
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine
SMILESC=Cc1c(C=C)n(-c2ncc3oc(C)c(C=C)c3n2)c2ccccc12
InChIInChI=1S/C21H17N3O/c1-5-14-13(4)25-19-12-22-21(23-20(14)19)24-17(7-3)15(6-2)16-10-8-9-11-18(16)24/h5-12H,1-3H2,4H3
InChIKeyAUZRPDVVOFASLM-UHFFFAOYSA-N
XLogP5.40
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3-bis(ethenyl)indol-1-yl]-6-methyl-7-[(1Z)-2-methylbuta-1,3-dienyl]furo[3,2-d]pyrimidine
CID 167090781
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
2-ethenyl-3-methyl-1-pyrimidin-2-ylindole
CID 134960562
2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole
CID 166663898
14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 142363423
2,3-bis(ethenyl)-1-[4-[2-[4-(3-ethenyl-2-methylindol-1-yl)phenyl]propan-2-yl]phenyl]indole
CID 143119204
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
[4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 174013966
2,4,5-tri(carbazol-9-yl)-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 131993006
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole
CID 137419756
8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177271430
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-3-ethenyl-2-[(E)-2-phenylprop-1-enyl]indole
CID 142377794

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine?
The IUPAC name of 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine (CID 167090774) is 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine is C=Cc1c(C=C)n(-c2ncc3oc(C)c(C=C)c3n2)c2ccccc12.
What is the InChIKey of 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine?
The InChIKey is AUZRPDVVOFASLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-5-14-13(4)25-19-12-22-21(23-20(14)19)24-17(7-3)15(6-2)16-10-8-9-11-18(16)24/h5-12H,1-3H2,4H3.
What are the key properties of 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine?
2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine has a molecular weight of 327.39 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 167090774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).