N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C18H20N6O — CID 94646818

IUPACN-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCc1ccc2c(c1)CC[C@@H]2NC(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C18H20N6O/c1-11-3-5-13-12(7-11)4-6-14(13)23-15(25)8-24(2)18-16-17(20-9-19-16)21-10-22-18/h3,5,7,9-10,14H,4,6,8H2,1-2H3,(H,23,25)(H,19,20,21,22)/t14-/m0/s1
InChIKeyLQFWGBSTIJSVRE-AWEZNQCLSA-N
MW336.40 g/mol
LogP1.90
Rot. Bonds4

About N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 94646818) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID94646818
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCc1ccc2c(c1)CC[C@@H]2NC(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C18H20N6O/c1-11-3-5-13-12(7-11)4-6-14(13)23-15(25)8-24(2)18-16-17(20-9-19-16)21-10-22-18/h3,5,7,9-10,14H,4,6,8H2,1-2H3,(H,23,25)(H,19,20,21,22)/t14-/m0/s1
InChIKeyLQFWGBSTIJSVRE-AWEZNQCLSA-N
XLogP1.90
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 94646818) is N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide is Cc1ccc2c(c1)CC[C@@H]2NC(=O)CN(C)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is LQFWGBSTIJSVRE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11-3-5-13-12(7-11)4-6-14(13)23-15(25)8-24(2)18-16-17(20-9-19-16)21-10-22-18/h3,5,7,9-10,14H,4,6,8H2,1-2H3,(H,23,25)(H,19,20,21,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 336.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 94646818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).