N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide

C16H26N6OS — CID 16901941

IUPACN-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide
SMILESCCCNc1nc(SCC)nc2c1cnn2CCNC(=O)C(C)C
InChIInChI=1S/C16H26N6OS/c1-5-7-17-13-12-10-19-22(9-8-18-15(23)11(3)4)14(12)21-16(20-13)24-6-2/h10-11H,5-9H2,1-4H3,(H,18,23)(H,17,20,21)
InChIKeyAWBQELUJEZJXDJ-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.53
Rot. Bonds9

About N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide

N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide (PubChem CID 16901941) has the molecular formula C16H26N6OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide
PubChem CID16901941
Molecular FormulaC16H26N6OS
Molecular Weight350.49 g/mol
Exact Mass350.19
IUPAC NameN-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide
SMILESCCCNc1nc(SCC)nc2c1cnn2CCNC(=O)C(C)C
InChIInChI=1S/C16H26N6OS/c1-5-7-17-13-12-10-19-22(9-8-18-15(23)11(3)4)14(12)21-16(20-13)24-6-2/h10-11H,5-9H2,1-4H3,(H,18,23)(H,17,20,21)
InChIKeyAWBQELUJEZJXDJ-UHFFFAOYSA-N
XLogP2.53
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide (CID 16901941) is N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide is CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)C(C)C.
What is the InChIKey of N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide?
The InChIKey is AWBQELUJEZJXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6OS/c1-5-7-17-13-12-10-19-22(9-8-18-15(23)11(3)4)14(12)21-16(20-13)24-6-2/h10-11H,5-9H2,1-4H3,(H,18,23)(H,17,20,21).
What are the key properties of N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide?
N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide has a molecular weight of 350.49 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 16901941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).