7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine

C17H21N7 — CID 157019637

IUPAC7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine
SMILESCc1cccnc1CN1CCN(c2ncc3c(ncn3C)n2)CC1
InChIInChI=1S/C17H21N7/c1-13-4-3-5-18-14(13)11-23-6-8-24(9-7-23)17-19-10-15-16(21-17)20-12-22(15)2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyKCVGELFKPFIKGW-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.39
Rot. Bonds3

About 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine

7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine (PubChem CID 157019637) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine.

Molecular Properties

Compound Name7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine
PubChem CID157019637
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine
SMILESCc1cccnc1CN1CCN(c2ncc3c(ncn3C)n2)CC1
InChIInChI=1S/C17H21N7/c1-13-4-3-5-18-14(13)11-23-6-8-24(9-7-23)17-19-10-15-16(21-17)20-12-22(15)2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyKCVGELFKPFIKGW-UHFFFAOYSA-N
XLogP1.39
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine 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

2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
CID 146038387
6-(azepan-1-yl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42199344
1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 72889738
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 165432585
5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine
CID 115981865
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
[4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 107160723

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine?
The IUPAC name of 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine (CID 157019637) is 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine.
What is the SMILES notation for 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine?
The canonical SMILES for 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine is Cc1cccnc1CN1CCN(c2ncc3c(ncn3C)n2)CC1.
What is the InChIKey of 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine?
The InChIKey is KCVGELFKPFIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-13-4-3-5-18-14(13)11-23-6-8-24(9-7-23)17-19-10-15-16(21-17)20-12-22(15)2/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine?
7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine has a molecular weight of 323.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine is sourced from PubChem (CID 157019637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).