2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine

C24H33N7 — CID 11796354

IUPAC2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine
SMILESC[C@@H](Nc1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1)c1ccccc1
InChIInChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18?,19?/m1/s1
InChIKeyICOAPDOBTUNNPQ-IPJUCJBFSA-N
MW419.58 g/mol
LogP4.80
Rot. Bonds6

About 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine (PubChem CID 11796354) has the molecular formula C24H33N7 and a molecular weight of 419.58 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine
PubChem CID11796354
Molecular FormulaC24H33N7
Molecular Weight419.58 g/mol
Exact Mass419.28
IUPAC Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine
SMILESC[C@@H](Nc1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1)c1ccccc1
InChIInChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18?,19?/m1/s1
InChIKeyICOAPDOBTUNNPQ-IPJUCJBFSA-N
XLogP4.80
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine?
The IUPAC name of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine (CID 11796354) is 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine is C[C@@H](Nc1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1)c1ccccc1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine?
The InChIKey is ICOAPDOBTUNNPQ-IPJUCJBFSA-N. The full InChI is InChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18?,19?/m1/s1.
What are the key properties of 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine?
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine has a molecular weight of 419.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(1R)-1-phenylethyl]purine-2,6-diamine is sourced from PubChem (CID 11796354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).