(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine

C18H30N6 — CID 95729990

IUPAC(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC[C@H](CNc1nc(C2CCCC2)nc2c1cnn2C)N(C)C
InChIInChI=1S/C18H30N6/c1-5-8-14(23(2)3)11-19-17-15-12-20-24(4)18(15)22-16(21-17)13-9-6-7-10-13/h12-14H,5-11H2,1-4H3,(H,19,21,22)/t14-/m1/s1
InChIKeyFZYNGQMEGSXSFI-CQSZACIVSA-N
MW330.48 g/mol
LogP3.16
Rot. Bonds7

About (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine

(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 95729990) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID95729990
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC Name(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC[C@H](CNc1nc(C2CCCC2)nc2c1cnn2C)N(C)C
InChIInChI=1S/C18H30N6/c1-5-8-14(23(2)3)11-19-17-15-12-20-24(4)18(15)22-16(21-17)13-9-6-7-10-13/h12-14H,5-11H2,1-4H3,(H,19,21,22)/t14-/m1/s1
InChIKeyFZYNGQMEGSXSFI-CQSZACIVSA-N
XLogP3.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
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
N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 56910169
6-cyclopentyl-1-methyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95725819
6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899071
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-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70759098
N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 70756161
1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one
CID 56888522
6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70720306

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine (CID 95729990) is (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine is CCC[C@H](CNc1nc(C2CCCC2)nc2c1cnn2C)N(C)C.
What is the InChIKey of (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is FZYNGQMEGSXSFI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N6/c1-5-8-14(23(2)3)11-19-17-15-12-20-24(4)18(15)22-16(21-17)13-9-6-7-10-13/h12-14H,5-11H2,1-4H3,(H,19,21,22)/t14-/m1/s1.
What are the key properties of (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 330.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 95729990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).