9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine

C17H24N8 — CID 56780531

IUPAC9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine
SMILESCc1cnn(CC2CCCN2CCCn2cnc3c(N)ncnc32)c1
InChIInChI=1S/C17H24N8/c1-13-8-22-25(9-13)10-14-4-2-5-23(14)6-3-7-24-12-21-15-16(18)19-11-20-17(15)24/h8-9,11-12,14H,2-7,10H2,1H3,(H2,18,19,20)
InChIKeyAWTHJWOPORSQSO-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.47
Rot. Bonds6

About 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine

9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine (PubChem CID 56780531) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine
PubChem CID56780531
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC Name9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine
SMILESCc1cnn(CC2CCCN2CCCn2cnc3c(N)ncnc32)c1
InChIInChI=1S/C17H24N8/c1-13-8-22-25(9-13)10-14-4-2-5-23(14)6-3-7-24-12-21-15-16(18)19-11-20-17(15)24/h8-9,11-12,14H,2-7,10H2,1H3,(H2,18,19,20)
InChIKeyAWTHJWOPORSQSO-UHFFFAOYSA-N
XLogP1.47
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine 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

9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine
CID 66424729
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477
9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine
CID 103533908
9-nonylpurin-6-amine
CID 3816519
9-[3-(2-methylcyclohexyl)oxypropyl]purin-6-amine
CID 66424922
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 95345806
(2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 95750526
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
CID 66424528

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine?
The IUPAC name of 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine (CID 56780531) is 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine.
What is the SMILES notation for 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine?
The canonical SMILES for 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine is Cc1cnn(CC2CCCN2CCCn2cnc3c(N)ncnc32)c1.
What is the InChIKey of 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine?
The InChIKey is AWTHJWOPORSQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8/c1-13-8-22-25(9-13)10-14-4-2-5-23(14)6-3-7-24-12-21-15-16(18)19-11-20-17(15)24/h8-9,11-12,14H,2-7,10H2,1H3,(H2,18,19,20).
What are the key properties of 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine?
9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine has a molecular weight of 340.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine is sourced from PubChem (CID 56780531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).