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

C17H20N6O4 — CID 25138152

IUPAC7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCCO)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C17H20N6O4/c1-26-11-7-10(8-12(9-11)27-2)21-15-13(14(18)25)16-19-3-5-23(16)17(22-15)20-4-6-24/h3,5,7-9,21,24H,4,6H2,1-2H3,(H2,18,25)(H,20,22)
InChIKeyQSAQRPDNVTVYQV-UHFFFAOYSA-N
MW372.39 g/mol
LogP0.99
Rot. Bonds8

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

7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138152) has the molecular formula C17H20N6O4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138152
Molecular FormulaC17H20N6O4
Molecular Weight372.39 g/mol
Exact Mass372.15
IUPAC Name7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCCO)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C17H20N6O4/c1-26-11-7-10(8-12(9-11)27-2)21-15-13(14(18)25)16-19-3-5-23(16)17(22-15)20-4-6-24/h3,5,7-9,21,24H,4,6H2,1-2H3,(H2,18,25)(H,20,22)
InChIKeyQSAQRPDNVTVYQV-UHFFFAOYSA-N
XLogP0.99
TPSA136.03 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138152) is 7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCCO)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is QSAQRPDNVTVYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4/c1-26-11-7-10(8-12(9-11)27-2)21-15-13(14(18)25)16-19-3-5-23(16)17(22-15)20-4-6-24/h3,5,7-9,21,24H,4,6H2,1-2H3,(H2,18,25)(H,20,22).
What are the key properties of 7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?
7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 0.99, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxyanilino)-5-(2-hydroxyethylamino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).