7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide

C20H20N6O4 — CID 25138164

IUPAC7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccco3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C20H20N6O4/c1-28-14-8-12(9-15(10-14)29-2)24-18-16(17(21)27)19-22-5-6-26(19)20(25-18)23-11-13-4-3-7-30-13/h3-10,24H,11H2,1-2H3,(H2,21,27)(H,23,25)
InChIKeyKQLMFPACBDBFHV-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.79
Rot. Bonds8

About 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide

7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138164) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138164
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC Name7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccco3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C20H20N6O4/c1-28-14-8-12(9-15(10-14)29-2)24-18-16(17(21)27)19-22-5-6-26(19)20(25-18)23-11-13-4-3-7-30-13/h3-10,24H,11H2,1-2H3,(H2,21,27)(H,23,25)
InChIKeyKQLMFPACBDBFHV-UHFFFAOYSA-N
XLogP2.79
TPSA128.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138164) is 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3ccco3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is KQLMFPACBDBFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-28-14-8-12(9-15(10-14)29-2)24-18-16(17(21)27)19-22-5-6-26(19)20(25-18)23-11-13-4-3-7-30-13/h3-10,24H,11H2,1-2H3,(H2,21,27)(H,23,25).
What are the key properties of 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?
7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxyanilino)-5-(furan-2-ylmethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).