4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide

C14H20N6O — CID 169323707

IUPAC4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(n2ncc3c(N)ncnc32)CC1
InChIInChI=1S/C14H20N6O/c1-19(2)14(21)9-3-5-10(6-4-9)20-13-11(7-18-20)12(15)16-8-17-13/h7-10H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyGUUQJUUXJXLMMG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.23
Rot. Bonds2

About 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 169323707) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID169323707
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(n2ncc3c(N)ncnc32)CC1
InChIInChI=1S/C14H20N6O/c1-19(2)14(21)9-3-5-10(6-4-9)20-13-11(7-18-20)12(15)16-8-17-13/h7-10H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyGUUQJUUXJXLMMG-UHFFFAOYSA-N
XLogP1.23
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide (CID 169323707) is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)C1CCC(n2ncc3c(N)ncnc32)CC1.
What is the InChIKey of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is GUUQJUUXJXLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19(2)14(21)9-3-5-10(6-4-9)20-13-11(7-18-20)12(15)16-8-17-13/h7-10H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide?
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 169323707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).