1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H26N6O — CID 70722674

IUPAC1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H]2COC[C@@H]2N2CCCCC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H26N6O/c1-11-15-16(18-12(2)19-17(15)22(3)21-11)20-13-9-24-10-14(13)23-7-5-4-6-8-23/h13-14H,4-10H2,1-3H3,(H,18,19,20)/t13-,14-/m0/s1
InChIKeyDQQGWRFNSQVTBS-KBPBESRZSA-N
MW330.44 g/mol
LogP1.65
Rot. Bonds3

About 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70722674) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70722674
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H]2COC[C@@H]2N2CCCCC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H26N6O/c1-11-15-16(18-12(2)19-17(15)22(3)21-11)20-13-9-24-10-14(13)23-7-5-4-6-8-23/h13-14H,4-10H2,1-3H3,(H,18,19,20)/t13-,14-/m0/s1
InChIKeyDQQGWRFNSQVTBS-KBPBESRZSA-N
XLogP1.65
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

2,3,5-trimethyl-N-[1-(tetrahydro-2-furanylmethyl)-4-piperidinyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56886900
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56907243
N-{[1-(2-methoxyethyl)-3-pyrrolidinyl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56912322
1-[(1,3-Dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 70710071
N-[1-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70720768
1-(1-azepanyl)-3-[(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-propanol
CID 70765533
N-[(3S)-1-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyrrolidinyl]acetamide
CID 70772230
1,3,6-trimethyl-N-[2-(tetrahydro-3-furanyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70708152
N,N-diethyl-N'-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,2-ethanediamine
CID 70716744
2,3,5-trimethyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 77900961
1-methyl-4-[(2S)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 121452569
5-Methyl-6-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 14097492

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 70722674) is 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(N[C@H]2COC[C@@H]2N2CCCCC2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DQQGWRFNSQVTBS-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N6O/c1-11-15-16(18-12(2)19-17(15)22(3)21-11)20-13-9-24-10-14(13)23-7-5-4-6-8-23/h13-14H,4-10H2,1-3H3,(H,18,19,20)/t13-,14-/m0/s1.
What are the key properties of 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70722674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).