N-methyl-N-(oxan-4-yl)-7H-purin-6-amine

C11H15N5O — CID 155982544

IUPACN-methyl-N-(oxan-4-yl)-7H-purin-6-amine
SMILESCN(c1ncnc2nc[nH]c12)C1CCOCC1
InChIInChI=1S/C11H15N5O/c1-16(8-2-4-17-5-3-8)11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyKJQDDTCWSVRSQQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.97
Rot. Bonds2

About N-methyl-N-(oxan-4-yl)-7H-purin-6-amine

N-methyl-N-(oxan-4-yl)-7H-purin-6-amine (PubChem CID 155982544) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-7H-purin-6-amine
PubChem CID155982544
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-methyl-N-(oxan-4-yl)-7H-purin-6-amine
SMILESCN(c1ncnc2nc[nH]c12)C1CCOCC1
InChIInChI=1S/C11H15N5O/c1-16(8-2-4-17-5-3-8)11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyKJQDDTCWSVRSQQ-UHFFFAOYSA-N
XLogP0.97
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine
CID 79119003
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
N-methyl-6-[methyl(7H-purin-6-yl)amino]spiro[3.3]heptane-2-sulfonamide
CID 146524869
4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid
CID 66237387
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789731
N-cyclohexyl-N-ethyl-7H-purin-6-amine
CID 2155059
N-cyclopropyl-N-(2,2-dimethylpropyl)-7H-purin-6-amine
CID 69097604
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-7H-purin-6-amine
CID 126918139
N,N-bis(methylamino)-7H-purin-6-amine
CID 66676633
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80906429

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-7H-purin-6-amine?
The IUPAC name of N-methyl-N-(oxan-4-yl)-7H-purin-6-amine (CID 155982544) is N-methyl-N-(oxan-4-yl)-7H-purin-6-amine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-7H-purin-6-amine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-7H-purin-6-amine is CN(c1ncnc2nc[nH]c12)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-7H-purin-6-amine?
The InChIKey is KJQDDTCWSVRSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16(8-2-4-17-5-3-8)11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H,12,13,14,15).
What are the key properties of N-methyl-N-(oxan-4-yl)-7H-purin-6-amine?
N-methyl-N-(oxan-4-yl)-7H-purin-6-amine has a molecular weight of 233.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-7H-purin-6-amine is sourced from PubChem (CID 155982544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).