4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol

C19H30N6O — CID 167967767

IUPAC4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol
SMILESCN(C)CCC1CCN(c2ncnc3c2ncn3C2CCC(O)CC2)C1
InChIInChI=1S/C19H30N6O/c1-23(2)9-7-14-8-10-24(11-14)18-17-19(21-12-20-18)25(13-22-17)15-3-5-16(26)6-4-15/h12-16,26H,3-11H2,1-2H3
InChIKeyJBJXXORRCIWGCI-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.08
Rot. Bonds5

About 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol

4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol (PubChem CID 167967767) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol
PubChem CID167967767
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol
SMILESCN(C)CCC1CCN(c2ncnc3c2ncn3C2CCC(O)CC2)C1
InChIInChI=1S/C19H30N6O/c1-23(2)9-7-14-8-10-24(11-14)18-17-19(21-12-20-18)25(13-22-17)15-3-5-16(26)6-4-15/h12-16,26H,3-11H2,1-2H3
InChIKeyJBJXXORRCIWGCI-UHFFFAOYSA-N
XLogP2.08
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol 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-cyclopropyl-6-(3-methylpiperidin-1-yl)purine
CID 163354022
1-[9-[3,3-bis(hydroxymethyl)cyclobutyl]purin-6-yl]piperidin-3-ol
CID 146108202
4-[4-[9-[4-(hydroxymethyl)cyclohexyl]purin-6-yl]piperazin-1-yl]phenol
CID 167818272
9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
CID 154829192
1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106461
6-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-9-cyclopropylpurine
CID 155980660
(2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid
CID 122051660
1-[[1-[9-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]purin-6-yl]pyrrolidin-3-yl]methyl]pyrrolidin-2-one
CID 167762837
5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 155980616
5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163344591
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 155980603
N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
CID 155974091

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol?
The IUPAC name of 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol (CID 167967767) is 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol is CN(C)CCC1CCN(c2ncnc3c2ncn3C2CCC(O)CC2)C1.
What is the InChIKey of 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol?
The InChIKey is JBJXXORRCIWGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-23(2)9-7-14-8-10-24(11-14)18-17-19(21-12-20-18)25(13-22-17)15-3-5-16(26)6-4-15/h12-16,26H,3-11H2,1-2H3.
What are the key properties of 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol?
4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol has a molecular weight of 358.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]purin-9-yl]cyclohexan-1-ol is sourced from PubChem (CID 167967767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).