N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine

C15H24N6O — CID 123415453

IUPACN-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine
SMILESCOCC1(C)CN(c2nc(NC(C)(C)C)nc3nc[nH]c23)C1
InChIInChI=1S/C15H24N6O/c1-14(2,3)20-13-18-11-10(16-9-17-11)12(19-13)21-6-15(4,7-21)8-22-5/h9H,6-8H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyIQPLIJPKYHVZCN-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.04
Rot. Bonds4

About N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine

N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine (PubChem CID 123415453) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine
PubChem CID123415453
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine
SMILESCOCC1(C)CN(c2nc(NC(C)(C)C)nc3nc[nH]c23)C1
InChIInChI=1S/C15H24N6O/c1-14(2,3)20-13-18-11-10(16-9-17-11)12(19-13)21-6-15(4,7-21)8-22-5/h9H,6-8H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyIQPLIJPKYHVZCN-UHFFFAOYSA-N
XLogP2.04
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114785656
3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
CID 103358836
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine
CID 114785384
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
CID 114786604
6-(3-ethylpyrrolidin-1-yl)-N-propyl-7H-purin-2-amine
CID 114786220
6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine
CID 162635768
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
CID 114783973
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
1-[2-(ethylamino)-7H-purin-6-yl]-1,4-diazepan-5-one
CID 114785109
1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
CID 114786006
2-[[6-(azepan-1-yl)-7H-purin-2-yl]amino]butan-1-ol
CID 152715190

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine?
The IUPAC name of N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine (CID 123415453) is N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine.
What is the SMILES notation for N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine?
The canonical SMILES for N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine is COCC1(C)CN(c2nc(NC(C)(C)C)nc3nc[nH]c23)C1.
What is the InChIKey of N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine?
The InChIKey is IQPLIJPKYHVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-14(2,3)20-13-18-11-10(16-9-17-11)12(19-13)21-6-15(4,7-21)8-22-5/h9H,6-8H2,1-5H3,(H2,16,17,18,19,20).
What are the key properties of N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine?
N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine has a molecular weight of 304.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine is sourced from PubChem (CID 123415453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).