N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C13H20N6O — CID 102971502

IUPACN-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(N2CCCC(OC)C2)c2cn[nH]c2n1
InChIInChI=1S/C13H20N6O/c1-3-14-13-16-11-10(7-15-18-11)12(17-13)19-6-4-5-9(8-19)20-2/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUFLUZUWTADSEOB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.40
Rot. Bonds4

About N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 102971502) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID102971502
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(N2CCCC(OC)C2)c2cn[nH]c2n1
InChIInChI=1S/C13H20N6O/c1-3-14-13-16-11-10(7-15-18-11)12(17-13)19-6-4-5-9(8-19)20-2/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUFLUZUWTADSEOB-UHFFFAOYSA-N
XLogP1.40
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 104693017
[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939124
3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol
CID 114683927
4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80806454
[1-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629759
N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine
CID 102971487
4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 114158228
5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine
CID 80806982
N-ethyl-6-(3-methoxypiperidin-1-yl)-5-nitropyridin-2-amine
CID 102971578
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
CID 178104706
1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile
CID 178106501
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 102971502) is N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CCNc1nc(N2CCCC(OC)C2)c2cn[nH]c2n1.
What is the InChIKey of N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is UFLUZUWTADSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-14-13-16-11-10(7-15-18-11)12(17-13)19-6-4-5-9(8-19)20-2/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 276.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 102971502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).