2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol

C13H19N5O — CID 63022258

IUPAC2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
SMILESCCNc1ncnc2c1cnn2C1CCCCC1O
InChIInChI=1S/C13H19N5O/c1-2-14-12-9-7-17-18(13(9)16-8-15-12)10-5-3-4-6-11(10)19/h7-8,10-11,19H,2-6H2,1H3,(H,14,15,16)
InChIKeyGPQJOJBHPNXFHJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.73
Rot. Bonds3

About 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol

2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol (PubChem CID 63022258) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
PubChem CID63022258
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
SMILESCCNc1ncnc2c1cnn2C1CCCCC1O
InChIInChI=1S/C13H19N5O/c1-2-14-12-9-7-17-18(13(9)16-8-15-12)10-5-3-4-6-11(10)19/h7-8,10-11,19H,2-6H2,1H3,(H,14,15,16)
InChIKeyGPQJOJBHPNXFHJ-UHFFFAOYSA-N
XLogP1.73
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol (CID 63022258) is 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol is CCNc1ncnc2c1cnn2C1CCCCC1O.
What is the InChIKey of 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
The InChIKey is GPQJOJBHPNXFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-14-12-9-7-17-18(13(9)16-8-15-12)10-5-3-4-6-11(10)19/h7-8,10-11,19H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 63022258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).