6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine

C14H22N6 — CID 114784239

IUPAC6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCCC1CCC(Nc2nc(NC)nc3nc[nH]c23)CC1
InChIInChI=1S/C14H22N6/c1-3-9-4-6-10(7-5-9)18-13-11-12(17-8-16-11)19-14(15-2)20-13/h8-10H,3-7H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyABCMRINGGIDAIW-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.78
Rot. Bonds4

About 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine

6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine (PubChem CID 114784239) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
PubChem CID114784239
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCCC1CCC(Nc2nc(NC)nc3nc[nH]c23)CC1
InChIInChI=1S/C14H22N6/c1-3-9-4-6-10(7-5-9)18-13-11-12(17-8-16-11)19-14(15-2)20-13/h8-10H,3-7H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyABCMRINGGIDAIW-UHFFFAOYSA-N
XLogP2.78
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine (CID 114784239) is 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine is CCC1CCC(Nc2nc(NC)nc3nc[nH]c23)CC1.
What is the InChIKey of 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine?
The InChIKey is ABCMRINGGIDAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-3-9-4-6-10(7-5-9)18-13-11-12(17-8-16-11)19-14(15-2)20-13/h8-10H,3-7H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine?
6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114784239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).