6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

C22H20N4S — CID 21010584

IUPAC6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3ccc4c(c3)[nH]c3c(CC)cccc34)ncnc2s1
InChIInChI=1S/C22H20N4S/c1-3-13-6-5-7-17-16-9-8-14(10-19(16)26-20(13)17)25-21-18-11-15(4-2)27-22(18)24-12-23-21/h5-12,26H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyZMEDEMFQBGHXRU-UHFFFAOYSA-N
MW372.50 g/mol
LogP6.19
Rot. Bonds4

About 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 21010584) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID21010584
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3ccc4c(c3)[nH]c3c(CC)cccc34)ncnc2s1
InChIInChI=1S/C22H20N4S/c1-3-13-6-5-7-17-16-9-8-14(10-19(16)26-20(13)17)25-21-18-11-15(4-2)27-22(18)24-12-23-21/h5-12,26H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyZMEDEMFQBGHXRU-UHFFFAOYSA-N
XLogP6.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 21010584) is 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(Nc3ccc4c(c3)[nH]c3c(CC)cccc34)ncnc2s1.
What is the InChIKey of 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZMEDEMFQBGHXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-3-13-6-5-7-17-16-9-8-14(10-19(16)26-20(13)17)25-21-18-11-15(4-2)27-22(18)24-12-23-21/h5-12,26H,3-4H2,1-2H3,(H,23,24,25).
What are the key properties of 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 372.50 g/mol, XLogP of 6.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21010584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).