4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride

C20H25ClN6O3 — CID 119590813

About 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride

4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride (PubChem CID 119590813) has the molecular formula C20H25ClN6O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
• PubChem CID: 119590813
• Molecular Formula: C20H25ClN6O3
• Molecular Weight: 432.91 g/mol
• Exact Mass: 432.17
• IUPAC Name: 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
• SMILES: Cl.NCC(NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)C1CCCCC1
• InChI: InChI=1S/C20H24N6O3.ClH/c21-10-14(12-5-2-1-3-6-12)25-20(28)15-9-13(16-7-4-8-29-16)24-19-17(18(22)27)23-11-26(15)19;/h4,7-9,11-12,14H,1-3,5-6,10,21H2,(H2,22,27)(H,25,28);1H
• InChIKey: HYEAZICBWGJVLE-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 141.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.91
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride?

The IUPAC name of 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride (CID 119590813) is 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride.

What is the SMILES notation for 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride?

The canonical SMILES for 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride is Cl.NCC(NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)C1CCCCC1.

What is the InChIKey of 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride?

The InChIKey is HYEAZICBWGJVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3.ClH/c21-10-14(12-5-2-1-3-6-12)25-20(28)15-9-13(16-7-4-8-29-16)24-19-17(18(22)27)23-11-26(15)19;/h4,7-9,11-12,14H,1-3,5-6,10,21H2,(H2,22,27)(H,25,28);1H.

What are the key properties of 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride?

4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride has a molecular weight of 432.91 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride is sourced from PubChem (CID 119590813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).