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

C17H21N7O3 — CID 25138153

IUPAC5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCCN)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C17H21N7O3/c1-26-11-7-10(8-12(9-11)27-2)22-15-13(14(19)25)16-20-5-6-24(16)17(23-15)21-4-3-18/h5-9,22H,3-4,18H2,1-2H3,(H2,19,25)(H,21,23)
InChIKeyXJSCJPRKDAUMHP-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.96
Rot. Bonds8

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

5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138153) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138153
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCCN)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C17H21N7O3/c1-26-11-7-10(8-12(9-11)27-2)22-15-13(14(19)25)16-20-5-6-24(16)17(23-15)21-4-3-18/h5-9,22H,3-4,18H2,1-2H3,(H2,19,25)(H,21,23)
InChIKeyXJSCJPRKDAUMHP-UHFFFAOYSA-N
XLogP0.96
TPSA141.82 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138153) is 5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCCN)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is XJSCJPRKDAUMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3/c1-26-11-7-10(8-12(9-11)27-2)22-15-13(14(19)25)16-20-5-6-24(16)17(23-15)21-4-3-18/h5-9,22H,3-4,18H2,1-2H3,(H2,19,25)(H,21,23).
What are the key properties of 5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 0.96, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).