1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C14H21N5O — CID 70708152

IUPAC1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCCC2CCOC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C14H21N5O/c1-9-12-13(15-6-4-11-5-7-20-8-11)16-10(2)17-14(12)19(3)18-9/h11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyGGVLOUGMIXBWDG-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.82
Rot. Bonds4

About 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70708152) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70708152
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCCC2CCOC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C14H21N5O/c1-9-12-13(15-6-4-11-5-7-20-8-11)16-10(2)17-14(12)19(3)18-9/h11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyGGVLOUGMIXBWDG-UHFFFAOYSA-N
XLogP1.82
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70722674
N,N-diethyl-N'-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,2-ethanediamine
CID 70716744
(5S)-7-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 97598024
N,1-bis(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 118131445
5-(4-Amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 20605759
5-(4,6-Diamino-3-prop-1-ynylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 20614246
3-Methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
4,6-Dimethyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 57654247
(2R,3R,5R)-5-(6-amino-3-iodo-4-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 58905578
1,3-Dimethyl-6-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70286761
5-(4,6-Diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 70870710
(2R,5R)-5-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 71053153

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 70708152) is 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NCCC2CCOC2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GGVLOUGMIXBWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-12-13(15-6-4-11-5-7-20-8-11)16-10(2)17-14(12)19(3)18-9/h11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70708152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).