6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C14H21N5 — CID 56889372

IUPAC6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C14H21N5/c1-9(2)16-13-11-8-15-19(3)14(11)18-12(17-13)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyNSJLQNAVYBOZOE-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.84
Rot. Bonds3

About 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56889372) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56889372
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C14H21N5/c1-9(2)16-13-11-8-15-19(3)14(11)18-12(17-13)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyNSJLQNAVYBOZOE-UHFFFAOYSA-N
XLogP2.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopentyl-1-methyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95725819
6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70720306
6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56884038
N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 56910169
6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872463
6-cyclopentyl-N-(2-ethylsulfonylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56902966
6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70737816
6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70759098
(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-(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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56889372) is 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Nc1nc(C2CCCC2)nc2c1cnn2C.
What is the InChIKey of 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NSJLQNAVYBOZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9(2)16-13-11-8-15-19(3)14(11)18-12(17-13)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56889372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).