N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C20H25N5O — CID 70336330

IUPACN-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccccc1CCO[C@H]1CC[C@H](N(C)c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C20H25N5O/c1-14-5-3-4-6-15(14)9-10-26-17-8-7-16(11-17)25(2)20-18-12-23-24-19(18)21-13-22-20/h3-6,12-13,16-17H,7-11H2,1-2H3,(H,21,22,23,24)/t16-,17-/m0/s1
InChIKeyQPGNMQKTZZKZOB-IRXDYDNUSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds6

About N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70336330) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID70336330
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccccc1CCO[C@H]1CC[C@H](N(C)c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C20H25N5O/c1-14-5-3-4-6-15(14)9-10-26-17-8-7-16(11-17)25(2)20-18-12-23-24-19(18)21-13-22-20/h3-6,12-13,16-17H,7-11H2,1-2H3,(H,21,22,23,24)/t16-,17-/m0/s1
InChIKeyQPGNMQKTZZKZOB-IRXDYDNUSA-N
XLogP3.28
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 70336330) is N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccccc1CCO[C@H]1CC[C@H](N(C)c2ncnc3[nH]ncc23)C1.
What is the InChIKey of N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QPGNMQKTZZKZOB-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-5-3-4-6-15(14)9-10-26-17-8-7-16(11-17)25(2)20-18-12-23-24-19(18)21-13-22-20/h3-6,12-13,16-17H,7-11H2,1-2H3,(H,21,22,23,24)/t16-,17-/m0/s1.
What are the key properties of N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 351.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70336330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).