ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate

C15H24N6O2S — CID 16902234

IUPACethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate
SMILESCCOC(=O)NCCn1ncc2c(NC(C)C)nc(SCC)nc21
InChIInChI=1S/C15H24N6O2S/c1-5-23-15(22)16-7-8-21-13-11(9-17-21)12(18-10(3)4)19-14(20-13)24-6-2/h9-10H,5-8H2,1-4H3,(H,16,22)(H,18,19,20)
InChIKeyGALAKCPBLRNBRV-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.50
Rot. Bonds8

About ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate

ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate (PubChem CID 16902234) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate
PubChem CID16902234
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC Nameethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate
SMILESCCOC(=O)NCCn1ncc2c(NC(C)C)nc(SCC)nc21
InChIInChI=1S/C15H24N6O2S/c1-5-23-15(22)16-7-8-21-13-11(9-17-21)12(18-10(3)4)19-14(20-13)24-6-2/h9-10H,5-8H2,1-4H3,(H,16,22)(H,18,19,20)
InChIKeyGALAKCPBLRNBRV-UHFFFAOYSA-N
XLogP2.50
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate (CID 16902234) is ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate is CCOC(=O)NCCn1ncc2c(NC(C)C)nc(SCC)nc21.
What is the InChIKey of ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate?
The InChIKey is GALAKCPBLRNBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-5-23-15(22)16-7-8-21-13-11(9-17-21)12(18-10(3)4)19-14(20-13)24-6-2/h9-10H,5-8H2,1-4H3,(H,16,22)(H,18,19,20).
What are the key properties of ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate?
ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate has a molecular weight of 352.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 16902234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).