1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone

C16H22N6O2 — CID 166307599

IUPAC1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone
SMILESCOCC1(CC(=O)N2CCC(n3cnc4c(N)ncnc43)C2)CC1
InChIInChI=1S/C16H22N6O2/c1-24-8-16(3-4-16)6-12(23)21-5-2-11(7-21)22-10-20-13-14(17)18-9-19-15(13)22/h9-11H,2-8H2,1H3,(H2,17,18,19)
InChIKeyRBHWPWVHKPBPER-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.00
Rot. Bonds5

About 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone

1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone (PubChem CID 166307599) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone
PubChem CID166307599
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone
SMILESCOCC1(CC(=O)N2CCC(n3cnc4c(N)ncnc43)C2)CC1
InChIInChI=1S/C16H22N6O2/c1-24-8-16(3-4-16)6-12(23)21-5-2-11(7-21)22-10-20-13-14(17)18-9-19-15(13)22/h9-11H,2-8H2,1H3,(H2,17,18,19)
InChIKeyRBHWPWVHKPBPER-UHFFFAOYSA-N
XLogP1.00
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone with MolForge

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Related Compounds

methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
CID 15659288
3-[3-[3-(6-aminopurin-9-yl)azetidin-1-yl]-3-oxopropyl]pyrimidin-4-one
CID 166402055
9-(3,3-diphosphorosocyclopentyl)purin-6-amine
CID 57063873
[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol
CID 11230472
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-ethynyl-2-(methoxymethyl)-2-methyloxolane-3,4-diol
CID 144766649
9-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]purin-6-amine
CID 166308713
[(2R,5R)-5-(6-aminopurin-9-yl)-2-methoxyoxolan-2-yl]methanol
CID 67785258
9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine
CID 59133676
2-[2-[(3R,4S)-4-(6-aminopurin-9-yl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethoxy]acetic acid
CID 110158230
9-[(5R)-8-methoxy-5-(methoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]purin-6-amine
CID 134232043
4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 166634318
tert-butyl (3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 126660812

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone (CID 166307599) is 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone is COCC1(CC(=O)N2CCC(n3cnc4c(N)ncnc43)C2)CC1.
What is the InChIKey of 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone?
The InChIKey is RBHWPWVHKPBPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-24-8-16(3-4-16)6-12(23)21-5-2-11(7-21)22-10-20-13-14(17)18-9-19-15(13)22/h9-11H,2-8H2,1H3,(H2,17,18,19).
What are the key properties of 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone?
1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone has a molecular weight of 330.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-aminopurin-9-yl)pyrrolidin-1-yl]-2-[1-(methoxymethyl)cyclopropyl]ethanone is sourced from PubChem (CID 166307599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).