9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine

C14H22N6O — CID 62897812

IUPAC9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine
SMILESCC1(C)COCCN1CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C14H22N6O/c1-14(2)8-21-7-6-20(14)5-3-4-19-10-18-11-12(15)16-9-17-13(11)19/h9-10H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyCNGMMGIKUOVMRH-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.91
Rot. Bonds4

About 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine

9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine (PubChem CID 62897812) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine
PubChem CID62897812
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine
SMILESCC1(C)COCCN1CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C14H22N6O/c1-14(2)8-21-7-6-20(14)5-3-4-19-10-18-11-12(15)16-9-17-13(11)19/h9-10H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyCNGMMGIKUOVMRH-UHFFFAOYSA-N
XLogP0.91
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
CID 66424528
9-nonylpurin-6-amine
CID 3816519
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[3-[methyl(oxolan-3-yl)amino]propyl]purin-6-amine
CID 115617276
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477
9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine
CID 103533908
9-[2-(dimorpholin-4-ylphosphanylmethoxy)ethyl]purin-6-amine
CID 70183237
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
9-pent-4-ynylpurin-6-amine
CID 91098853
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine?
The IUPAC name of 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine (CID 62897812) is 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine.
What is the SMILES notation for 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine?
The canonical SMILES for 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine is CC1(C)COCCN1CCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine?
The InChIKey is CNGMMGIKUOVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-14(2)8-21-7-6-20(14)5-3-4-19-10-18-11-12(15)16-9-17-13(11)19/h9-10H,3-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine?
9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine has a molecular weight of 290.37 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine is sourced from PubChem (CID 62897812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).