N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C15H23N5 — CID 155554635

IUPACN-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCC(C)Cc1[nH]nc2nc(NC3CCCCC3)ncc12
InChIInChI=1S/C15H23N5/c1-10(2)8-13-12-9-16-15(18-14(12)20-19-13)17-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyIREOUOAIWUAFCD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.30
Rot. Bonds4

About N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine

N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 155554635) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID155554635
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCC(C)Cc1[nH]nc2nc(NC3CCCCC3)ncc12
InChIInChI=1S/C15H23N5/c1-10(2)8-13-12-9-16-15(18-14(12)20-19-13)17-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyIREOUOAIWUAFCD-UHFFFAOYSA-N
XLogP3.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 155554635) is N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine is CC(C)Cc1[nH]nc2nc(NC3CCCCC3)ncc12.
What is the InChIKey of N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is IREOUOAIWUAFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10(2)8-13-12-9-16-15(18-14(12)20-19-13)17-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 273.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-methylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 155554635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).