N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine

C12H17N5O — CID 47357925

IUPACN-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
SMILESCN(CC1CCCCO1)c1ncnc2nc[nH]c12
InChIInChI=1S/C12H17N5O/c1-17(6-9-4-2-3-5-18-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyHUGJBYUELAYUOV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.36
Rot. Bonds3

About N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine

N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine (PubChem CID 47357925) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
PubChem CID47357925
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
SMILESCN(CC1CCCCO1)c1ncnc2nc[nH]c12
InChIInChI=1S/C12H17N5O/c1-17(6-9-4-2-3-5-18-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyHUGJBYUELAYUOV-UHFFFAOYSA-N
XLogP1.36
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(oxan-4-yl)-7H-purin-6-amine
CID 155982544
6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271711
6-chloro-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62102507
6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271712
N-cyclohexyl-N-ethyl-7H-purin-6-amine
CID 2155059
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80780441
N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 62593872
6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 63728796
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine
CID 79119003
6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80896559

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine (CID 47357925) is N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine is CN(CC1CCCCO1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is HUGJBYUELAYUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17(6-9-4-2-3-5-18-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16).
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine?
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 247.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 47357925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).