4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide

C20H24N6O2 — CID 5329567

IUPAC4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C20H24N6O2/c1-21-18(27)14-7-9-15(10-8-14)24-20-25-17-16(22-12-23-17)19(26-20)28-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,21,27)(H2,22,23,24,25,26)
InChIKeyYAVWDSSODXPSHQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.42
Rot. Bonds6

About 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide

4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide (PubChem CID 5329567) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide
PubChem CID5329567
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C20H24N6O2/c1-21-18(27)14-7-9-15(10-8-14)24-20-25-17-16(22-12-23-17)19(26-20)28-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,21,27)(H2,22,23,24,25,26)
InChIKeyYAVWDSSODXPSHQ-UHFFFAOYSA-N
XLogP3.42
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide (CID 5329567) is 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide?
The InChIKey is YAVWDSSODXPSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-21-18(27)14-7-9-15(10-8-14)24-20-25-17-16(22-12-23-17)19(26-20)28-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,21,27)(H2,22,23,24,25,26).
What are the key properties of 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide?
4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 5329567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).