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

C23H24N6O4 — CID 25138161

IUPAC7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccccc3OC)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H24N6O4/c1-31-16-10-15(11-17(12-16)32-2)27-21-19(20(24)30)22-25-8-9-29(22)23(28-21)26-13-14-6-4-5-7-18(14)33-3/h4-12,27H,13H2,1-3H3,(H2,24,30)(H,26,28)
InChIKeyRVTKCTMCIAQSNQ-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.21
Rot. Bonds9

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

7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138161) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138161
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccccc3OC)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H24N6O4/c1-31-16-10-15(11-17(12-16)32-2)27-21-19(20(24)30)22-25-8-9-29(22)23(28-21)26-13-14-6-4-5-7-18(14)33-3/h4-12,27H,13H2,1-3H3,(H2,24,30)(H,26,28)
InChIKeyRVTKCTMCIAQSNQ-UHFFFAOYSA-N
XLogP3.21
TPSA125.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.21
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-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138161) is 7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3ccccc3OC)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is RVTKCTMCIAQSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-31-16-10-15(11-17(12-16)32-2)27-21-19(20(24)30)22-25-8-9-29(22)23(28-21)26-13-14-6-4-5-7-18(14)33-3/h4-12,27H,13H2,1-3H3,(H2,24,30)(H,26,28).
What are the key properties of 7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
7-(3,5-dimethoxyanilino)-5-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 3.21, 9 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-[(2-methoxyphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).