6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine

C13H18N6O2 — CID 162635768

IUPAC6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine
SMILESCOC[C@@]12COC[C@@H]1CN(c1nc(N)nc3nc[nH]c13)C2
InChIInChI=1S/C13H18N6O2/c1-20-5-13-4-19(2-8(13)3-21-6-13)11-9-10(16-7-15-9)17-12(14)18-11/h7-8H,2-6H2,1H3,(H3,14,15,16,17,18)/t8-,13-/m0/s1
InChIKeyOJDRUMOHPOIIGE-SDBXPKJASA-N
MW290.33 g/mol
LogP0.03
Rot. Bonds3

About 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine

6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine (PubChem CID 162635768) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine
PubChem CID162635768
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine
SMILESCOC[C@@]12COC[C@@H]1CN(c1nc(N)nc3nc[nH]c13)C2
InChIInChI=1S/C13H18N6O2/c1-20-5-13-4-19(2-8(13)3-21-6-13)11-9-10(16-7-15-9)17-12(14)18-11/h7-8H,2-6H2,1H3,(H3,14,15,16,17,18)/t8-,13-/m0/s1
InChIKeyOJDRUMOHPOIIGE-SDBXPKJASA-N
XLogP0.03
TPSA102.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine?
The IUPAC name of 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine (CID 162635768) is 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine?
The canonical SMILES for 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine is COC[C@@]12COC[C@@H]1CN(c1nc(N)nc3nc[nH]c13)C2.
What is the InChIKey of 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine?
The InChIKey is OJDRUMOHPOIIGE-SDBXPKJASA-N. The full InChI is InChI=1S/C13H18N6O2/c1-20-5-13-4-19(2-8(13)3-21-6-13)11-9-10(16-7-15-9)17-12(14)18-11/h7-8H,2-6H2,1H3,(H3,14,15,16,17,18)/t8-,13-/m0/s1.
What are the key properties of 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine?
6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine has a molecular weight of 290.33 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine is sourced from PubChem (CID 162635768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).