4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C13H18N6O2 — CID 162633660

IUPAC4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOC[C@@]12COC[C@@H]1CN(c1nc(N)nc3[nH]ncc13)C2
InChIInChI=1S/C13H18N6O2/c1-20-6-13-5-19(3-8(13)4-21-7-13)11-9-2-15-18-10(9)16-12(14)17-11/h2,8H,3-7H2,1H3,(H3,14,15,16,17,18)/t8-,13-/m0/s1
InChIKeyWVDGQBLUTMOBNO-SDBXPKJASA-N
MW290.33 g/mol
LogP0.03
Rot. Bonds3

About 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 162633660) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID162633660
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOC[C@@]12COC[C@@H]1CN(c1nc(N)nc3[nH]ncc13)C2
InChIInChI=1S/C13H18N6O2/c1-20-6-13-5-19(3-8(13)4-21-7-13)11-9-2-15-18-10(9)16-12(14)17-11/h2,8H,3-7H2,1H3,(H3,14,15,16,17,18)/t8-,13-/m0/s1
InChIKeyWVDGQBLUTMOBNO-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

Analyze 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine
CID 162635768
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
CID 178104706
(3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 162637925
2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 163316975
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
4-[[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CID 162630076
4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83224574
2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 163312846
methyl 2-[[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]sulfonyl]benzoate
CID 162634651
(3aR,6aS)-3a-(methoxymethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 163314167
(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 125187202

Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 162633660) is 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is COC[C@@]12COC[C@@H]1CN(c1nc(N)nc3[nH]ncc13)C2.
What is the InChIKey of 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is WVDGQBLUTMOBNO-SDBXPKJASA-N. The full InChI is InChI=1S/C13H18N6O2/c1-20-6-13-5-19(3-8(13)4-21-7-13)11-9-2-15-18-10(9)16-12(14)17-11/h2,8H,3-7H2,1H3,(H3,14,15,16,17,18)/t8-,13-/m0/s1.
What are the key properties of 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-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 4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 162633660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).