N-cyclohexyl-N-ethyl-7H-purin-6-amine

C13H19N5 — CID 2155059

IUPACN-cyclohexyl-N-ethyl-7H-purin-6-amine
SMILESCCN(c1ncnc2nc[nH]c12)C1CCCCC1
InChIInChI=1S/C13H19N5/c1-2-18(10-6-4-3-5-7-10)13-11-12(15-8-14-11)16-9-17-13/h8-10H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyKJRPPSHXVVOZLZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.51
Rot. Bonds3

About N-cyclohexyl-N-ethyl-7H-purin-6-amine

N-cyclohexyl-N-ethyl-7H-purin-6-amine (PubChem CID 2155059) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-7H-purin-6-amine
PubChem CID2155059
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-cyclohexyl-N-ethyl-7H-purin-6-amine
SMILESCCN(c1ncnc2nc[nH]c12)C1CCCCC1
InChIInChI=1S/C13H19N5/c1-2-18(10-6-4-3-5-7-10)13-11-12(15-8-14-11)16-9-17-13/h8-10H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyKJRPPSHXVVOZLZ-UHFFFAOYSA-N
XLogP2.51
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine
CID 69097604
N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine
CID 60876484
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
N-methyl-N-(oxan-4-yl)-7H-purin-6-amine
CID 155982544
6-chloro-N-cyclohexyl-N-ethyl-5-propylpyrimidin-4-amine
CID 63736107
N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733304
N-[(1S,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733305
4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80781625
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
6-chloro-N-cyclohexyl-N-ethylpyrimidin-4-amine
CID 53410294
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
N,N-bis(methylamino)-7H-purin-6-amine
CID 66676633

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-7H-purin-6-amine?
The IUPAC name of N-cyclohexyl-N-ethyl-7H-purin-6-amine (CID 2155059) is N-cyclohexyl-N-ethyl-7H-purin-6-amine.
What is the SMILES notation for N-cyclohexyl-N-ethyl-7H-purin-6-amine?
The canonical SMILES for N-cyclohexyl-N-ethyl-7H-purin-6-amine is CCN(c1ncnc2nc[nH]c12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-7H-purin-6-amine?
The InChIKey is KJRPPSHXVVOZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-18(10-6-4-3-5-7-10)13-11-12(15-8-14-11)16-9-17-13/h8-10H,2-7H2,1H3,(H,14,15,16,17).
What are the key properties of N-cyclohexyl-N-ethyl-7H-purin-6-amine?
N-cyclohexyl-N-ethyl-7H-purin-6-amine has a molecular weight of 245.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-7H-purin-6-amine is sourced from PubChem (CID 2155059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).