2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol

C19H25N7O — CID 143341670

IUPAC2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol
SMILESCc1cccc(Nc2nc3nc(NCCO)nc(N4CCCCC4)c3[nH]2)c1
InChIInChI=1S/C19H25N7O/c1-13-6-5-7-14(12-13)21-19-22-15-16(24-19)23-18(20-8-11-27)25-17(15)26-9-3-2-4-10-26/h5-7,12,27H,2-4,8-11H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyYNMVXKOGEQIDTK-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.80
Rot. Bonds6

About 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol

2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol (PubChem CID 143341670) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol
PubChem CID143341670
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol
SMILESCc1cccc(Nc2nc3nc(NCCO)nc(N4CCCCC4)c3[nH]2)c1
InChIInChI=1S/C19H25N7O/c1-13-6-5-7-14(12-13)21-19-22-15-16(24-19)23-18(20-8-11-27)25-17(15)26-9-3-2-4-10-26/h5-7,12,27H,2-4,8-11H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyYNMVXKOGEQIDTK-UHFFFAOYSA-N
XLogP2.80
TPSA101.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol?
The IUPAC name of 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol (CID 143341670) is 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol is Cc1cccc(Nc2nc3nc(NCCO)nc(N4CCCCC4)c3[nH]2)c1.
What is the InChIKey of 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol?
The InChIKey is YNMVXKOGEQIDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-13-6-5-7-14(12-13)21-19-22-15-16(24-19)23-18(20-8-11-27)25-17(15)26-9-3-2-4-10-26/h5-7,12,27H,2-4,8-11H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol?
2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol has a molecular weight of 367.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(3-methylanilino)-6-piperidin-1-yl-7H-purin-2-yl]amino]ethanol is sourced from PubChem (CID 143341670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).