N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C20H25N5O — CID 11638883

IUPACN-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccccc1CCOC1CCC(Nc2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C20H25N5O/c1-14-4-2-3-5-15(14)10-11-26-17-8-6-16(7-9-17)24-19-18-12-23-25-20(18)22-13-21-19/h2-5,12-13,16-17H,6-11H2,1H3,(H2,21,22,23,24,25)
InChIKeyGKXNNVXABCDLHU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.64
Rot. Bonds6

About N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11638883) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11638883
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccccc1CCOC1CCC(Nc2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C20H25N5O/c1-14-4-2-3-5-15(14)10-11-26-17-8-6-16(7-9-17)24-19-18-12-23-25-20(18)22-13-21-19/h2-5,12-13,16-17H,6-11H2,1H3,(H2,21,22,23,24,25)
InChIKeyGKXNNVXABCDLHU-UHFFFAOYSA-N
XLogP3.64
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11638883) is N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccccc1CCOC1CCC(Nc2ncnc3[nH]ncc23)CC1.
What is the InChIKey of N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GKXNNVXABCDLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-4-2-3-5-15(14)10-11-26-17-8-6-16(7-9-17)24-19-18-12-23-25-20(18)22-13-21-19/h2-5,12-13,16-17H,6-11H2,1H3,(H2,21,22,23,24,25).
What are the key properties of N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 351.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11638883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).