1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H23N5O — CID 97197203

IUPAC1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@@H]2COC3(CCCCC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H23N5O/c1-11-18-14(13-9-17-21(2)15(13)19-11)20-12-8-16(22-10-12)6-4-3-5-7-16/h9,12H,3-8,10H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyCLSQESXSKBPVIS-LBPRGKRZSA-N
MW301.39 g/mol
LogP2.58
Rot. Bonds2

About 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 97197203) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID97197203
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@@H]2COC3(CCCCC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H23N5O/c1-11-18-14(13-9-17-21(2)15(13)19-11)20-12-8-16(22-10-12)6-4-3-5-7-16/h9,12H,3-8,10H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyCLSQESXSKBPVIS-LBPRGKRZSA-N
XLogP2.58
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 97197203) is 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(N[C@@H]2COC3(CCCCC3)C2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CLSQESXSKBPVIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-18-14(13-9-17-21(2)15(13)19-11)20-12-8-16(22-10-12)6-4-3-5-7-16/h9,12H,3-8,10H2,1-2H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 97197203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).