2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol

C21H30N6O — CID 51049592

IUPAC2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol
SMILESCC(C)N1CNc2c(Nc3ccccc3)nc(N3CCCCC3CCO)nc21
InChIInChI=1S/C21H30N6O/c1-15(2)27-14-22-18-19(23-16-8-4-3-5-9-16)24-21(25-20(18)27)26-12-7-6-10-17(26)11-13-28/h3-5,8-9,15,17,22,28H,6-7,10-14H2,1-2H3,(H,23,24,25)
InChIKeyULZJNBPQOSFOMP-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.56
Rot. Bonds6

About 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol

2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol (PubChem CID 51049592) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol
PubChem CID51049592
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol
SMILESCC(C)N1CNc2c(Nc3ccccc3)nc(N3CCCCC3CCO)nc21
InChIInChI=1S/C21H30N6O/c1-15(2)27-14-22-18-19(23-16-8-4-3-5-9-16)24-21(25-20(18)27)26-12-7-6-10-17(26)11-13-28/h3-5,8-9,15,17,22,28H,6-7,10-14H2,1-2H3,(H,23,24,25)
InChIKeyULZJNBPQOSFOMP-UHFFFAOYSA-N
XLogP3.56
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol (CID 51049592) is 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol is CC(C)N1CNc2c(Nc3ccccc3)nc(N3CCCCC3CCO)nc21.
What is the InChIKey of 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol?
The InChIKey is ULZJNBPQOSFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15(2)27-14-22-18-19(23-16-8-4-3-5-9-16)24-21(25-20(18)27)26-12-7-6-10-17(26)11-13-28/h3-5,8-9,15,17,22,28H,6-7,10-14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol?
2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol has a molecular weight of 382.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-anilino-9-propan-2-yl-7,8-dihydropurin-2-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 51049592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).