N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine

C15H24N6 — CID 56910169

IUPACN'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C15H24N6/c1-16-8-5-9-17-14-12-10-18-21(2)15(12)20-13(19-14)11-6-3-4-7-11/h10-11,16H,3-9H2,1-2H3,(H,17,19,20)
InChIKeyVVQRKAJBWFDMOB-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.04
Rot. Bonds6

About N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine

N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine (PubChem CID 56910169) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
PubChem CID56910169
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C15H24N6/c1-16-8-5-9-17-14-12-10-18-21(2)15(12)20-13(19-14)11-6-3-4-7-11/h10-11,16H,3-9H2,1-2H3,(H,17,19,20)
InChIKeyVVQRKAJBWFDMOB-UHFFFAOYSA-N
XLogP2.04
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70737816
6-cyclopentyl-N-(2-ethylsulfonylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56902966
6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899071
1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one
CID 56888522
6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95713175
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 70756161
(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 95729990
6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70759098
6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70706737
6-cyclopentyl-1-methyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95725819

Frequently Asked Questions

What is the IUPAC name of N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine (CID 56910169) is N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine is CNCCCNc1nc(C2CCCC2)nc2c1cnn2C.
What is the InChIKey of N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine?
The InChIKey is VVQRKAJBWFDMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-16-8-5-9-17-14-12-10-18-21(2)15(12)20-13(19-14)11-6-3-4-7-11/h10-11,16H,3-9H2,1-2H3,(H,17,19,20).
What are the key properties of N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine?
N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 56910169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).