6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine

C13H15N3O — CID 121160662

IUPAC6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCc1ccc(C(C)N2Cc3cncnc3C2)o1
InChIInChI=1S/C13H15N3O/c1-9-3-4-13(17-9)10(2)16-6-11-5-14-8-15-12(11)7-16/h3-5,8,10H,6-7H2,1-2H3
InChIKeyOAKVUYOORVUDER-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.45
Rot. Bonds2

About 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 121160662) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID121160662
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCc1ccc(C(C)N2Cc3cncnc3C2)o1
InChIInChI=1S/C13H15N3O/c1-9-3-4-13(17-9)10(2)16-6-11-5-14-8-15-12(11)7-16/h3-5,8,10H,6-7H2,1-2H3
InChIKeyOAKVUYOORVUDER-UHFFFAOYSA-N
XLogP2.45
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 121160662) is 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine is Cc1ccc(C(C)N2Cc3cncnc3C2)o1.
What is the InChIKey of 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is OAKVUYOORVUDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-4-13(17-9)10(2)16-6-11-5-14-8-15-12(11)7-16/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 229.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 121160662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).