2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide

C20H23N5O4 — CID 155967598

IUPAC2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESCCOC1CC(CCNC(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1
InChIInChI=1S/C20H23N5O4/c1-2-28-13-8-12(9-13)5-6-22-20(27)14-10-15(16-4-3-7-29-16)25-11-23-17(18(21)26)19(25)24-14/h3-4,7,10-13H,2,5-6,8-9H2,1H3,(H2,21,26)(H,22,27)
InChIKeyYZOLXWYQXDOGIL-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.02
Rot. Bonds8

About 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide

2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide (PubChem CID 155967598) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
PubChem CID155967598
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESCCOC1CC(CCNC(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1
InChIInChI=1S/C20H23N5O4/c1-2-28-13-8-12(9-13)5-6-22-20(27)14-10-15(16-4-3-7-29-16)25-11-23-17(18(21)26)19(25)24-14/h3-4,7,10-13H,2,5-6,8-9H2,1H3,(H2,21,26)(H,22,27)
InChIKeyYZOLXWYQXDOGIL-UHFFFAOYSA-N
XLogP2.02
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The IUPAC name of 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide (CID 155967598) is 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The canonical SMILES for 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide is CCOC1CC(CCNC(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1.
What is the InChIKey of 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The InChIKey is YZOLXWYQXDOGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-2-28-13-8-12(9-13)5-6-22-20(27)14-10-15(16-4-3-7-29-16)25-11-23-17(18(21)26)19(25)24-14/h3-4,7,10-13H,2,5-6,8-9H2,1H3,(H2,21,26)(H,22,27).
What are the key properties of 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide has a molecular weight of 397.44 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide is sourced from PubChem (CID 155967598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).