N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide

C18H29N5O5 — CID 15167671

IUPACN-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide
SMILESCOc1nc(NC(C)=O)nc2ncn(COC(COC(C)C)COC(C)C)c12
InChIInChI=1S/C18H29N5O5/c1-11(2)26-7-14(8-27-12(3)4)28-10-23-9-19-16-15(23)17(25-6)22-18(21-16)20-13(5)24/h9,11-12,14H,7-8,10H2,1-6H3,(H,20,21,22,24)
InChIKeySLLIWDRZGBIIFT-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.99
Rot. Bonds11

About N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide

N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide (PubChem CID 15167671) has the molecular formula C18H29N5O5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide
PubChem CID15167671
Molecular FormulaC18H29N5O5
Molecular Weight395.46 g/mol
Exact Mass395.22
IUPAC NameN-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide
SMILESCOc1nc(NC(C)=O)nc2ncn(COC(COC(C)C)COC(C)C)c12
InChIInChI=1S/C18H29N5O5/c1-11(2)26-7-14(8-27-12(3)4)28-10-23-9-19-16-15(23)17(25-6)22-18(21-16)20-13(5)24/h9,11-12,14H,7-8,10H2,1-6H3,(H,20,21,22,24)
InChIKeySLLIWDRZGBIIFT-UHFFFAOYSA-N
XLogP1.99
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide?
The IUPAC name of N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide (CID 15167671) is N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide.
What is the SMILES notation for N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide?
The canonical SMILES for N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide is COc1nc(NC(C)=O)nc2ncn(COC(COC(C)C)COC(C)C)c12.
What is the InChIKey of N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide?
The InChIKey is SLLIWDRZGBIIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O5/c1-11(2)26-7-14(8-27-12(3)4)28-10-23-9-19-16-15(23)17(25-6)22-18(21-16)20-13(5)24/h9,11-12,14H,7-8,10H2,1-6H3,(H,20,21,22,24).
What are the key properties of N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide?
N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-6-methoxypurin-2-yl]acetamide is sourced from PubChem (CID 15167671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).