anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine

C19H29N5O2 — CID 145348802

IUPACanisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine
SMILESCCC[C@H](C)Cn1cnc2c(N)ncnc21.CO.COc1ccccc1
InChIInChI=1S/C11H17N5.C7H8O.CH4O/c1-3-4-8(2)5-16-7-15-9-10(12)13-6-14-11(9)16;1-8-7-5-3-2-4-6-7;1-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14);2-6H,1H3;2H,1H3/t8-;;/m0../s1
InChIKeyKTDMMUPTXQOGIR-JZGIKJSDSA-N
MW359.47 g/mol
LogP3.15
Rot. Bonds5

About anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine

anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine (PubChem CID 145348802) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine.

Molecular Properties

Compound Nameanisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine
PubChem CID145348802
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Nameanisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine
SMILESCCC[C@H](C)Cn1cnc2c(N)ncnc21.CO.COc1ccccc1
InChIInChI=1S/C11H17N5.C7H8O.CH4O/c1-3-4-8(2)5-16-7-15-9-10(12)13-6-14-11(9)16;1-8-7-5-3-2-4-6-7;1-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14);2-6H,1H3;2H,1H3/t8-;;/m0../s1
InChIKeyKTDMMUPTXQOGIR-JZGIKJSDSA-N
XLogP3.15
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl (2S)-2-[[[(3S)-4-(6-aminopurin-9-yl)-3-methylbutyl]-phenoxyphosphoryl]amino]propanoate
CID 126629594
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(4-methoxyphenoxy)phosphinic acid
CID 118214141
9-[2-[[chloromethyl(phenoxy)phosphoryl]methoxy]propyl]purin-6-amine
CID 123273553
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;phenol
CID 137353721
9-[(2R)-2-[[octadecoxy(phenoxy)phosphoryl]methoxy]propyl]purin-6-amine
CID 176959248
[(2R)-1-(6-aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethyl-phenoxyphosphinic acid
CID 90431958
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
9-[2-[[2-octadecan-2-yloxyethoxy(phenoxy)phosphoryl]methoxy]propyl]purin-6-amine
CID 90429202
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonous acid
CID 144949236
prop-2-enyl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxy-phenoxyphosphoryl]amino]propanoate
CID 134219056

Frequently Asked Questions

What is the IUPAC name of anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine?
The IUPAC name of anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine (CID 145348802) is anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine.
What is the SMILES notation for anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine?
The canonical SMILES for anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine is CCC[C@H](C)Cn1cnc2c(N)ncnc21.CO.COc1ccccc1.
What is the InChIKey of anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine?
The InChIKey is KTDMMUPTXQOGIR-JZGIKJSDSA-N. The full InChI is InChI=1S/C11H17N5.C7H8O.CH4O/c1-3-4-8(2)5-16-7-15-9-10(12)13-6-14-11(9)16;1-8-7-5-3-2-4-6-7;1-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14);2-6H,1H3;2H,1H3/t8-;;/m0../s1.
What are the key properties of anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine?
anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine has a molecular weight of 359.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;methanol;9-[(2S)-2-methylpentyl]purin-6-amine is sourced from PubChem (CID 145348802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).