N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine

C13H20N6 — CID 114783570

IUPACN-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine
SMILESCCNc1nc(N2CCCCC2C)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-3-14-13-17-11-10(15-8-16-11)12(18-13)19-7-5-4-6-9(19)2/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyMPCFJWFZYWEELM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds3

About N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine

N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine (PubChem CID 114783570) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine
PubChem CID114783570
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine
SMILESCCNc1nc(N2CCCCC2C)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-3-14-13-17-11-10(15-8-16-11)12(18-13)19-7-5-4-6-9(19)2/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyMPCFJWFZYWEELM-UHFFFAOYSA-N
XLogP2.16
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114784944
N-ethyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-7H-purin-2-amine
CID 102887635
2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine
CID 104787123
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
CID 114786604
6-(2-methylpiperidin-1-yl)-7H-purine
CID 131955162
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
N-ethyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
CID 114786879
2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784778
1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
CID 114786006
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114785656
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
CID 114785462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine (CID 114783570) is N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine is CCNc1nc(N2CCCCC2C)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine?
The InChIKey is MPCFJWFZYWEELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-14-13-17-11-10(15-8-16-11)12(18-13)19-7-5-4-6-9(19)2/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine?
N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine is sourced from PubChem (CID 114783570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).