2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

C18H19N5O4 — CID 155967660

IUPAC2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCC1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C(C)CO1
InChIInChI=1S/C18H19N5O4/c1-10-8-27-11(2)7-22(10)18(25)12-6-13(14-4-3-5-26-14)23-9-20-15(16(19)24)17(23)21-12/h3-6,9-11H,7-8H2,1-2H3,(H2,19,24)
InChIKeyXCDPLZQGWPHDGN-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.34
Rot. Bonds3

About 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 155967660) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID155967660
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCC1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C(C)CO1
InChIInChI=1S/C18H19N5O4/c1-10-8-27-11(2)7-22(10)18(25)12-6-13(14-4-3-5-26-14)23-9-20-15(16(19)24)17(23)21-12/h3-6,9-11H,7-8H2,1-2H3,(H2,19,24)
InChIKeyXCDPLZQGWPHDGN-UHFFFAOYSA-N
XLogP1.34
TPSA115.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 155967660) is 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is CC1CN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is XCDPLZQGWPHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-10-8-27-11(2)7-22(10)18(25)12-6-13(14-4-3-5-26-14)23-9-20-15(16(19)24)17(23)21-12/h3-6,9-11H,7-8H2,1-2H3,(H2,19,24).
What are the key properties of 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 155967660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).