8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine

C12H17N5 — CID 71689212

IUPAC8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine
SMILESCc1nc2ncnc(N3CCC(C)CC3)c2[nH]1
InChIInChI=1S/C12H17N5/c1-8-3-5-17(6-4-8)12-10-11(13-7-14-12)16-9(2)15-10/h7-8H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyNACXDVZEMCXPFC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.90
Rot. Bonds1

About 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine

8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine (PubChem CID 71689212) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine.

Molecular Properties

Compound Name8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine
PubChem CID71689212
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine
SMILESCc1nc2ncnc(N3CCC(C)CC3)c2[nH]1
InChIInChI=1S/C12H17N5/c1-8-3-5-17(6-4-8)12-10-11(13-7-14-12)16-9(2)15-10/h7-8H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyNACXDVZEMCXPFC-UHFFFAOYSA-N
XLogP1.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride
CID 19969708
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine
CID 67446352
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
N-(3,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23479397
4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine
CID 63623719
6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine
CID 108774131
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
CID 133300022
[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 5236670
4-(4-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 19140358

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine?
The IUPAC name of 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine (CID 71689212) is 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine.
What is the SMILES notation for 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine?
The canonical SMILES for 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine is Cc1nc2ncnc(N3CCC(C)CC3)c2[nH]1.
What is the InChIKey of 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine?
The InChIKey is NACXDVZEMCXPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-3-5-17(6-4-8)12-10-11(13-7-14-12)16-9(2)15-10/h7-8H,3-6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine?
8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine has a molecular weight of 231.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(4-methylpiperidin-1-yl)-7H-purine is sourced from PubChem (CID 71689212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).