N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C21H25N5O — CID 69276306

IUPACN-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc([C@@H]2C[C@H]2COC2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-2-4-14(5-3-1)18-10-15(18)12-27-17-8-6-16(7-9-17)25-20-19-11-24-26-21(19)23-13-22-20/h1-5,11,13,15-18H,6-10,12H2,(H2,22,23,24,25,26)/t15-,16?,17?,18-/m0/s1
InChIKeyUQWHFQBHILEXGF-BFWZDYSYSA-N
MW363.47 g/mol
LogP3.90
Rot. Bonds6

About N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 69276306) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID69276306
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc([C@@H]2C[C@H]2COC2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-2-4-14(5-3-1)18-10-15(18)12-27-17-8-6-16(7-9-17)25-20-19-11-24-26-21(19)23-13-22-20/h1-5,11,13,15-18H,6-10,12H2,(H2,22,23,24,25,26)/t15-,16?,17?,18-/m0/s1
InChIKeyUQWHFQBHILEXGF-BFWZDYSYSA-N
XLogP3.90
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 69276306) is N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1ccc([C@@H]2C[C@H]2COC2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.
What is the InChIKey of N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UQWHFQBHILEXGF-BFWZDYSYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-4-14(5-3-1)18-10-15(18)12-27-17-8-6-16(7-9-17)25-20-19-11-24-26-21(19)23-13-22-20/h1-5,11,13,15-18H,6-10,12H2,(H2,22,23,24,25,26)/t15-,16?,17?,18-/m0/s1.
What are the key properties of N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 69276306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).