1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine

C10H12IN5 — CID 22346808

IUPAC1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)nn2C1CCCC1
InChIInChI=1S/C10H12IN5/c11-8-7-9(12)13-5-14-10(7)16(15-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14)
InChIKeyKNIKEMBOLNWAAC-UHFFFAOYSA-N
MW329.15 g/mol
LogP2.13
Rot. Bonds1

About 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 22346808) has the molecular formula C10H12IN5 and a molecular weight of 329.15 g/mol. Its IUPAC name is 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID22346808
Molecular FormulaC10H12IN5
Molecular Weight329.15 g/mol
Exact Mass329.01
IUPAC Name1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)nn2C1CCCC1
InChIInChI=1S/C10H12IN5/c11-8-7-9(12)13-5-14-10(7)16(15-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14)
InChIKeyKNIKEMBOLNWAAC-UHFFFAOYSA-N
XLogP2.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864305
2-Heptyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine
CID 11253284
1-Cyclohexyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227510
1-methyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221090
2-(Propan-2-yl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 240823
2-hexyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11736130
N-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 39038262
1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 57375998
1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 67517602

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine (CID 22346808) is 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(I)nn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KNIKEMBOLNWAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5/c11-8-7-9(12)13-5-14-10(7)16(15-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14).
What are the key properties of 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 329.15 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 22346808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).