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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(Tetrahydrofuran-2-yl)-9h-purin-6-amine
CID 5270
9-(Tetrahydro-2-furyl)-adenine
CID 22879197
Dihydrozeatin
CID 439631
Adenine,N6-3-methoxypropyl
CID 2155044
(+-)-Dihydrozeatin
CID 32021
6-(pyrrolidin-1-yl)-9H-purine
CID 756690
(2R)-2-Methyl-4-(9H-purin-6-ylamino)-1-butanol
CID 688447
1-[1-(9h-Purin-6-Yl)piperidin-4-Yl]methanamine
CID 11708454
N,N-dibutyl-7H-purin-6-amine
CID 2155055
Adenine,N6-propyl
CID 2155040
N,N-dipropyl-9H-purin-6-amine
CID 756688
Adenine,N6-I-propyl
CID 907882

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).