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

C21H27N5O2 — CID 11559983

IUPACN-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCOC(COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1
InChIInChI=1S/C21H27N5O2/c1-2-27-19(15-6-4-3-5-7-15)13-28-17-10-8-16(9-11-17)25-20-18-12-24-26-21(18)23-14-22-20/h3-7,12,14,16-17,19H,2,8-11,13H2,1H3,(H2,22,23,24,25,26)
InChIKeyJXLPNRGKWQHTOU-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.87
Rot. Bonds8

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

N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11559983) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11559983
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCOC(COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1
InChIInChI=1S/C21H27N5O2/c1-2-27-19(15-6-4-3-5-7-15)13-28-17-10-8-16(9-11-17)25-20-18-12-24-26-21(18)23-14-22-20/h3-7,12,14,16-17,19H,2,8-11,13H2,1H3,(H2,22,23,24,25,26)
InChIKeyJXLPNRGKWQHTOU-UHFFFAOYSA-N
XLogP3.87
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11559983) is N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCOC(COC1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1.
What is the InChIKey of N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JXLPNRGKWQHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-2-27-19(15-6-4-3-5-7-15)13-28-17-10-8-16(9-11-17)25-20-18-12-24-26-21(18)23-14-22-20/h3-7,12,14,16-17,19H,2,8-11,13H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11559983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).