4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol

C13H19N5O — CID 91560998

IUPAC4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
SMILESCCc1nn(C2CCC(O)CC2)c2ncnc(N)c12
InChIInChI=1S/C13H19N5O/c1-2-10-11-12(14)15-7-16-13(11)18(17-10)8-3-5-9(19)6-4-8/h7-9,19H,2-6H2,1H3,(H2,14,15,16)
InChIKeyZHTDWUUOAAWVGX-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.45
Rot. Bonds2

About 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol

4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol (PubChem CID 91560998) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
PubChem CID91560998
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
SMILESCCc1nn(C2CCC(O)CC2)c2ncnc(N)c12
InChIInChI=1S/C13H19N5O/c1-2-10-11-12(14)15-7-16-13(11)18(17-10)8-3-5-9(19)6-4-8/h7-9,19H,2-6H2,1H3,(H2,14,15,16)
InChIKeyZHTDWUUOAAWVGX-UHFFFAOYSA-N
XLogP1.45
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 123186043
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
1-[3-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 135219177
1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56944275
copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate
CID 175873270
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol
CID 118026024
4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one
CID 163720363
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
ethane;3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 156857327

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol (CID 91560998) is 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol is CCc1nn(C2CCC(O)CC2)c2ncnc(N)c12.
What is the InChIKey of 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
The InChIKey is ZHTDWUUOAAWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-10-11-12(14)15-7-16-13(11)18(17-10)8-3-5-9(19)6-4-8/h7-9,19H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 91560998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).