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

C18H21N5O3 — CID 47024013

IUPAC4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCCCCN(CC)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12
InChIInChI=1S/C18H21N5O3/c1-3-5-8-22(4-2)18(25)13-10-12(14-7-6-9-26-14)21-17-15(16(19)24)20-11-23(13)17/h6-7,9-11H,3-5,8H2,1-2H3,(H2,19,24)
InChIKeyQXWZMJUPLNRELB-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.35
Rot. Bonds7

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

4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 47024013) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID47024013
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCCCCN(CC)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12
InChIInChI=1S/C18H21N5O3/c1-3-5-8-22(4-2)18(25)13-10-12(14-7-6-9-26-14)21-17-15(16(19)24)20-11-23(13)17/h6-7,9-11H,3-5,8H2,1-2H3,(H2,19,24)
InChIKeyQXWZMJUPLNRELB-UHFFFAOYSA-N
XLogP2.35
TPSA106.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 47024013) is 4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is CCCCN(CC)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12.
What is the InChIKey of 4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is QXWZMJUPLNRELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-5-8-22(4-2)18(25)13-10-12(14-7-6-9-26-14)21-17-15(16(19)24)20-11-23(13)17/h6-7,9-11H,3-5,8H2,1-2H3,(H2,19,24).
What are the key properties of 4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 47024013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).