[3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol

C20H26N6O — CID 71289130

IUPAC[3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol
SMILESCNc1ncc2c(-c3cccc(CO)c3)nn(CC3CCC(N)CC3)c2n1
InChIInChI=1S/C20H26N6O/c1-22-20-23-10-17-18(15-4-2-3-14(9-15)12-27)25-26(19(17)24-20)11-13-5-7-16(21)8-6-13/h2-4,9-10,13,16,27H,5-8,11-12,21H2,1H3,(H,22,23,24)
InChIKeyIVLZPFLRJKXJRE-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.54
Rot. Bonds5

About [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol

[3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol (PubChem CID 71289130) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol
PubChem CID71289130
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol
SMILESCNc1ncc2c(-c3cccc(CO)c3)nn(CC3CCC(N)CC3)c2n1
InChIInChI=1S/C20H26N6O/c1-22-20-23-10-17-18(15-4-2-3-14(9-15)12-27)25-26(19(17)24-20)11-13-5-7-16(21)8-6-13/h2-4,9-10,13,16,27H,5-8,11-12,21H2,1H3,(H,22,23,24)
InChIKeyIVLZPFLRJKXJRE-UHFFFAOYSA-N
XLogP2.54
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol?
The IUPAC name of [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol (CID 71289130) is [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol is CNc1ncc2c(-c3cccc(CO)c3)nn(CC3CCC(N)CC3)c2n1.
What is the InChIKey of [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol?
The InChIKey is IVLZPFLRJKXJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-22-20-23-10-17-18(15-4-2-3-14(9-15)12-27)25-26(19(17)24-20)11-13-5-7-16(21)8-6-13/h2-4,9-10,13,16,27H,5-8,11-12,21H2,1H3,(H,22,23,24).
What are the key properties of [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol?
[3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol has a molecular weight of 366.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(4-aminocyclohexyl)methyl]-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanol is sourced from PubChem (CID 71289130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).