2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol

C15H23N5O — CID 80726594

IUPAC2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
SMILESCCCNc1nc(C)nc2c1cnn2C1CCCCC1O
InChIInChI=1S/C15H23N5O/c1-3-8-16-14-11-9-17-20(15(11)19-10(2)18-14)12-6-4-5-7-13(12)21/h9,12-13,21H,3-8H2,1-2H3,(H,16,18,19)
InChIKeyZBGADELVUUJSNM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.43
Rot. Bonds4

About 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol

2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol (PubChem CID 80726594) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
PubChem CID80726594
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
SMILESCCCNc1nc(C)nc2c1cnn2C1CCCCC1O
InChIInChI=1S/C15H23N5O/c1-3-8-16-14-11-9-17-20(15(11)19-10(2)18-14)12-6-4-5-7-13(12)21/h9,12-13,21H,3-8H2,1-2H3,(H,16,18,19)
InChIKeyZBGADELVUUJSNM-UHFFFAOYSA-N
XLogP2.43
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol (CID 80726594) is 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol is CCCNc1nc(C)nc2c1cnn2C1CCCCC1O.
What is the InChIKey of 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
The InChIKey is ZBGADELVUUJSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-8-16-14-11-9-17-20(15(11)19-10(2)18-14)12-6-4-5-7-13(12)21/h9,12-13,21H,3-8H2,1-2H3,(H,16,18,19).
What are the key properties of 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol?
2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 80726594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).