N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine

C17H19N5O — CID 157014952

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine
SMILESCOc1cc2c(cc1CNc1ncc3ncn(C)c3n1)CCC2
InChIInChI=1S/C17H19N5O/c1-22-10-20-14-9-19-17(21-16(14)22)18-8-13-6-11-4-3-5-12(11)7-15(13)23-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19,21)
InChIKeyBNZPICCWEMZIDS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.47
Rot. Bonds4

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine (PubChem CID 157014952) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine
PubChem CID157014952
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine
SMILESCOc1cc2c(cc1CNc1ncc3ncn(C)c3n1)CCC2
InChIInChI=1S/C17H19N5O/c1-22-10-20-14-9-19-17(21-16(14)22)18-8-13-6-11-4-3-5-12(11)7-15(13)23-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19,21)
InChIKeyBNZPICCWEMZIDS-UHFFFAOYSA-N
XLogP2.47
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine (CID 157014952) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine is COc1cc2c(cc1CNc1ncc3ncn(C)c3n1)CCC2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine?
The InChIKey is BNZPICCWEMZIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-22-10-20-14-9-19-17(21-16(14)22)18-8-13-6-11-4-3-5-12(11)7-15(13)23-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19,21).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine has a molecular weight of 309.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine is sourced from PubChem (CID 157014952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).