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

C16H25N5O — CID 95897810

IUPAC1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCCCC[C@@H]2CCCO2)c2c(C)nn(C)c2n1
InChIInChI=1S/C16H25N5O/c1-11-14-15(18-12(2)19-16(14)21(3)20-11)17-9-5-4-7-13-8-6-10-22-13/h13H,4-10H2,1-3H3,(H,17,18,19)/t13-/m1/s1
InChIKeyFHLAMBIYWUEJPQ-CYBMUJFWSA-N
MW303.41 g/mol
LogP2.74
Rot. Bonds6

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

1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95897810) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95897810
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCCCC[C@@H]2CCCO2)c2c(C)nn(C)c2n1
InChIInChI=1S/C16H25N5O/c1-11-14-15(18-12(2)19-16(14)21(3)20-11)17-9-5-4-7-13-8-6-10-22-13/h13H,4-10H2,1-3H3,(H,17,18,19)/t13-/m1/s1
InChIKeyFHLAMBIYWUEJPQ-CYBMUJFWSA-N
XLogP2.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95882613
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
[6-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 105314157
4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one
CID 105107024
N-[2-[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]ethyl]propan-2-amine
CID 65165350
6-hydrazinyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80904049
N-(oxolan-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63104701
1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078320
6-cyclopropyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148427
1,3,6-trimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95892087
N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine
CID 131907958

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95897810) is 1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NCCCC[C@@H]2CCCO2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FHLAMBIYWUEJPQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-14-15(18-12(2)19-16(14)21(3)20-11)17-9-5-4-7-13-8-6-10-22-13/h13H,4-10H2,1-3H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of 1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,3,6-trimethyl-N-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 2.74, 6 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-[4-[(2R)-oxolan-2-yl]butyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95897810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).