6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine

C14H22N6O — CID 114785384

IUPAC6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(N2CCC(COC)C2)c2[nH]cnc2n1
InChIInChI=1S/C14H22N6O/c1-3-5-15-14-18-12-11(16-9-17-12)13(19-14)20-6-4-10(7-20)8-21-2/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyXTVGILOZNLYFGO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.65
Rot. Bonds6

About 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine

6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine (PubChem CID 114785384) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine
PubChem CID114785384
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(N2CCC(COC)C2)c2[nH]cnc2n1
InChIInChI=1S/C14H22N6O/c1-3-5-15-14-18-12-11(16-9-17-12)13(19-14)20-6-4-10(7-20)8-21-2/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyXTVGILOZNLYFGO-UHFFFAOYSA-N
XLogP1.65
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-ethylpyrrolidin-1-yl)-N-propyl-7H-purin-2-amine
CID 114786220
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103328302
1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
CID 114786006
6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
CID 106207536
6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
CID 114787653
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
CID 114786604
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418
5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844726
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine?
The IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine (CID 114785384) is 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine.
What is the SMILES notation for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine?
The canonical SMILES for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine is CCCNc1nc(N2CCC(COC)C2)c2[nH]cnc2n1.
What is the InChIKey of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine?
The InChIKey is XTVGILOZNLYFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-5-15-14-18-12-11(16-9-17-12)13(19-14)20-6-4-10(7-20)8-21-2/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine?
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine has a molecular weight of 290.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine is sourced from PubChem (CID 114785384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).