5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

C22H20F2N6O3 — CID 25138163

IUPAC5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(F)cc3F)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H20F2N6O3/c1-32-15-8-14(9-16(10-15)33-2)28-20-18(19(25)31)21-26-5-6-30(21)22(29-20)27-11-12-3-4-13(23)7-17(12)24/h3-10,28H,11H2,1-2H3,(H2,25,31)(H,27,29)
InChIKeyXDLVCBLTMLRXEL-UHFFFAOYSA-N
MW454.44 g/mol
LogP3.48
Rot. Bonds8

About 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138163) has the molecular formula C22H20F2N6O3 and a molecular weight of 454.44 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138163
Molecular FormulaC22H20F2N6O3
Molecular Weight454.44 g/mol
Exact Mass454.16
IUPAC Name5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(F)cc3F)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H20F2N6O3/c1-32-15-8-14(9-16(10-15)33-2)28-20-18(19(25)31)21-26-5-6-30(21)22(29-20)27-11-12-3-4-13(23)7-17(12)24/h3-10,28H,11H2,1-2H3,(H2,25,31)(H,27,29)
InChIKeyXDLVCBLTMLRXEL-UHFFFAOYSA-N
XLogP3.48
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138163) is 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3ccc(F)cc3F)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is XDLVCBLTMLRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O3/c1-32-15-8-14(9-16(10-15)33-2)28-20-18(19(25)31)21-26-5-6-30(21)22(29-20)27-11-12-3-4-13(23)7-17(12)24/h3-10,28H,11H2,1-2H3,(H2,25,31)(H,27,29).
What are the key properties of 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 454.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).