1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H20N6O — CID 95873283

IUPAC1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC[C@H](C)Oc2cccnc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C16H20N6O/c1-10(23-13-6-5-7-17-9-13)8-18-15-14-11(2)21-22(4)16(14)20-12(3)19-15/h5-7,9-10H,8H2,1-4H3,(H,18,19,20)/t10-/m0/s1
InChIKeyZOBQYDJUNGQQEU-JTQLQIEISA-N
MW312.38 g/mol
LogP2.25
Rot. Bonds5

About 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95873283) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95873283
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC[C@H](C)Oc2cccnc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C16H20N6O/c1-10(23-13-6-5-7-17-9-13)8-18-15-14-11(2)21-22(4)16(14)20-12(3)19-15/h5-7,9-10H,8H2,1-4H3,(H,18,19,20)/t10-/m0/s1
InChIKeyZOBQYDJUNGQQEU-JTQLQIEISA-N
XLogP2.25
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

2,3,5-trimethyl-N-(2-pyridin-3-yloxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70717394
6-(1-methylimidazol-2-yl)-N-(2-pyridin-3-yloxypropyl)pyridazin-3-amine
CID 56739047
5-ethyl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine
CID 72937788
5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine
CID 97155547
N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine
CID 94497598
N-[2-(2-ethylimidazol-1-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70740430
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
N-(2-pyridin-3-yloxypropyl)pentan-2-amine
CID 62583825
2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214429
2-phenyl-N-[(2R)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214430
1,3,6-trimethyl-N-[(1R)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873902
1,3,6-trimethyl-N-[(1S)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873901

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95873283) is 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NC[C@H](C)Oc2cccnc2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZOBQYDJUNGQQEU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N6O/c1-10(23-13-6-5-7-17-9-13)8-18-15-14-11(2)21-22(4)16(14)20-12(3)19-15/h5-7,9-10H,8H2,1-4H3,(H,18,19,20)/t10-/m0/s1.
What are the key properties of 1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,3,6-trimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 312.38 g/mol, XLogP of 2.25, 5 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-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95873283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).