1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C12H17N5 — CID 80725542

IUPAC1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C)nc2c1cnn2C1CCCC1
InChIInChI=1S/C12H17N5/c1-8-15-11(13-2)10-7-14-17(12(10)16-8)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyQNBIMFNMDQEIES-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.29
Rot. Bonds2

About 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80725542) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80725542
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C)nc2c1cnn2C1CCCC1
InChIInChI=1S/C12H17N5/c1-8-15-11(13-2)10-7-14-17(12(10)16-8)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyQNBIMFNMDQEIES-UHFFFAOYSA-N
XLogP2.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 80725542) is 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(C)nc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QNBIMFNMDQEIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-15-11(13-2)10-7-14-17(12(10)16-8)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,13,15,16).
What are the key properties of 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80725542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).