ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate

C20H18N4O3 — CID 155580134

IUPACethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate
SMILESCCOC(=O)c1ncn2c(NCc3ccco3)ncc(-c3ccccc3)c12
InChIInChI=1S/C20H18N4O3/c1-2-26-19(25)17-18-16(14-7-4-3-5-8-14)12-22-20(24(18)13-23-17)21-11-15-9-6-10-27-15/h3-10,12-13H,2,11H2,1H3,(H,21,22)
InChIKeyDFMJIOMYNHXBIT-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.78
Rot. Bonds6

About ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate

ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate (PubChem CID 155580134) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate
PubChem CID155580134
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Nameethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate
SMILESCCOC(=O)c1ncn2c(NCc3ccco3)ncc(-c3ccccc3)c12
InChIInChI=1S/C20H18N4O3/c1-2-26-19(25)17-18-16(14-7-4-3-5-8-14)12-22-20(24(18)13-23-17)21-11-15-9-6-10-27-15/h3-10,12-13H,2,11H2,1H3,(H,21,22)
InChIKeyDFMJIOMYNHXBIT-UHFFFAOYSA-N
XLogP3.78
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate?
The IUPAC name of ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate (CID 155580134) is ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate is CCOC(=O)c1ncn2c(NCc3ccco3)ncc(-c3ccccc3)c12.
What is the InChIKey of ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate?
The InChIKey is DFMJIOMYNHXBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-2-26-19(25)17-18-16(14-7-4-3-5-8-14)12-22-20(24(18)13-23-17)21-11-15-9-6-10-27-15/h3-10,12-13H,2,11H2,1H3,(H,21,22).
What are the key properties of ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate?
ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate is sourced from PubChem (CID 155580134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).