2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine

C17H20N6O — CID 141187215

IUPAC2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine
SMILESNc1nc(N[C@H]2CCC[C@@H]2OCc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C17H20N6O/c18-15-14-16(20-10-19-14)23-17(22-15)21-12-7-4-8-13(12)24-9-11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2,(H4,18,19,20,21,22,23)/t12-,13-/m0/s1
InChIKeySZDHELMCBFEQHX-STQMWFEESA-N
MW324.39 g/mol
LogP2.48
Rot. Bonds5

About 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine

2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine (PubChem CID 141187215) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine
PubChem CID141187215
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine
SMILESNc1nc(N[C@H]2CCC[C@@H]2OCc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C17H20N6O/c18-15-14-16(20-10-19-14)23-17(22-15)21-12-7-4-8-13(12)24-9-11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2,(H4,18,19,20,21,22,23)/t12-,13-/m0/s1
InChIKeySZDHELMCBFEQHX-STQMWFEESA-N
XLogP2.48
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine (CID 141187215) is 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine is Nc1nc(N[C@H]2CCC[C@@H]2OCc2ccccc2)nc2nc[nH]c12.
What is the InChIKey of 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine?
The InChIKey is SZDHELMCBFEQHX-STQMWFEESA-N. The full InChI is InChI=1S/C17H20N6O/c18-15-14-16(20-10-19-14)23-17(22-15)21-12-7-4-8-13(12)24-9-11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2,(H4,18,19,20,21,22,23)/t12-,13-/m0/s1.
What are the key properties of 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine?
2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine has a molecular weight of 324.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 141187215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).