2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide

C20H24N6O2 — CID 5329572

IUPAC2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C20H24N6O2/c21-16(27)10-13-6-8-15(9-7-13)24-20-25-18-17(22-12-23-18)19(26-20)28-11-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H2,21,27)(H2,22,23,24,25,26)
InChIKeyXPEBENJJZXOJBA-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.08
Rot. Bonds7

About 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide

2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide (PubChem CID 5329572) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide
PubChem CID5329572
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C20H24N6O2/c21-16(27)10-13-6-8-15(9-7-13)24-20-25-18-17(22-12-23-18)19(26-20)28-11-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H2,21,27)(H2,22,23,24,25,26)
InChIKeyXPEBENJJZXOJBA-UHFFFAOYSA-N
XLogP3.08
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide (CID 5329572) is 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide?
The InChIKey is XPEBENJJZXOJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c21-16(27)10-13-6-8-15(9-7-13)24-20-25-18-17(22-12-23-18)19(26-20)28-11-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H2,21,27)(H2,22,23,24,25,26).
What are the key properties of 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide?
2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 5329572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).