6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine

C21H21N7O — CID 165412413

IUPAC6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine
SMILESCc1cccc(Oc2nc(N3CCN(c4ccccn4)CC3)nc3nc[nH]c23)c1
InChIInChI=1S/C21H21N7O/c1-15-5-4-6-16(13-15)29-20-18-19(24-14-23-18)25-21(26-20)28-11-9-27(10-12-28)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26)
InChIKeySEEWMOFUXTUUQX-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.18
Rot. Bonds4

About 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine

6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine (PubChem CID 165412413) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine
PubChem CID165412413
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine
SMILESCc1cccc(Oc2nc(N3CCN(c4ccccn4)CC3)nc3nc[nH]c23)c1
InChIInChI=1S/C21H21N7O/c1-15-5-4-6-16(13-15)29-20-18-19(24-14-23-18)25-21(26-20)28-11-9-27(10-12-28)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26)
InChIKeySEEWMOFUXTUUQX-UHFFFAOYSA-N
XLogP3.18
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117079664
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117080800
2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
CID 175655392
4-(3-methylphenoxy)-1H-imidazol-5-amine
CID 83619594
4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 42870483
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
N-(4-fluorophenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923922
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949154

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine?
The IUPAC name of 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine (CID 165412413) is 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine.
What is the SMILES notation for 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine?
The canonical SMILES for 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine is Cc1cccc(Oc2nc(N3CCN(c4ccccn4)CC3)nc3nc[nH]c23)c1.
What is the InChIKey of 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine?
The InChIKey is SEEWMOFUXTUUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-15-5-4-6-16(13-15)29-20-18-19(24-14-23-18)25-21(26-20)28-11-9-27(10-12-28)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26).
What are the key properties of 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine?
6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine has a molecular weight of 387.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine is sourced from PubChem (CID 165412413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).