2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide

C20H17N5O3 — CID 155967537

IUPAC2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1
InChIInChI=1S/C20H17N5O3/c1-24(11-14-8-5-9-28-14)20(27)15-10-16(13-6-3-2-4-7-13)25-12-22-17(18(21)26)19(25)23-15/h2-10,12H,11H2,1H3,(H2,21,26)
InChIKeyQJZGEZPKHBHPIM-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.36
Rot. Bonds5

About 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide

2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide (PubChem CID 155967537) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
PubChem CID155967537
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1
InChIInChI=1S/C20H17N5O3/c1-24(11-14-8-5-9-28-14)20(27)15-10-16(13-6-3-2-4-7-13)25-12-22-17(18(21)26)19(25)23-15/h2-10,12H,11H2,1H3,(H2,21,26)
InChIKeyQJZGEZPKHBHPIM-UHFFFAOYSA-N
XLogP2.36
TPSA106.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The IUPAC name of 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide (CID 155967537) is 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide is CN(Cc1ccco1)C(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The InChIKey is QJZGEZPKHBHPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-24(11-14-8-5-9-28-14)20(27)15-10-16(13-6-3-2-4-7-13)25-12-22-17(18(21)26)19(25)23-15/h2-10,12H,11H2,1H3,(H2,21,26).
What are the key properties of 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-2-N-methyl-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide is sourced from PubChem (CID 155967537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).