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

C22H20F2N6O3 — CID 25138162

IUPAC5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3cc(F)cc(F)c3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H20F2N6O3/c1-32-16-8-15(9-17(10-16)33-2)28-20-18(19(25)31)21-26-3-4-30(21)22(29-20)27-11-12-5-13(23)7-14(24)6-12/h3-10,28H,11H2,1-2H3,(H2,25,31)(H,27,29)
InChIKeyWDHMIVYBPPHCDV-UHFFFAOYSA-N
MW454.44 g/mol
LogP3.48
Rot. Bonds8

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

5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138162) has the molecular formula C22H20F2N6O3 and a molecular weight of 454.44 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138162
Molecular FormulaC22H20F2N6O3
Molecular Weight454.44 g/mol
Exact Mass454.16
IUPAC Name5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3cc(F)cc(F)c3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H20F2N6O3/c1-32-16-8-15(9-17(10-16)33-2)28-20-18(19(25)31)21-26-3-4-30(21)22(29-20)27-11-12-5-13(23)7-14(24)6-12/h3-10,28H,11H2,1-2H3,(H2,25,31)(H,27,29)
InChIKeyWDHMIVYBPPHCDV-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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Related Compounds

2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2h
CID 5329421
Imidazo[1,2-c]pyrimidine-8-carboxamide, 27
CID 10005715
Imidazo[1,2-c]pyrimidine-8-carboxamide, 26
CID 10075240
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10j
CID 10253089
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10d
CID 25138154
US10131667, Example 33
CID 72946003
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10o
CID 9866765
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10c
CID 25138153
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10g
CID 25138157
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10h
CID 25138158
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10i
CID 25138159

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138162) is 5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3cc(F)cc(F)c3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is WDHMIVYBPPHCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O3/c1-32-16-8-15(9-17(10-16)33-2)28-20-18(19(25)31)21-26-3-4-30(21)22(29-20)27-11-12-5-13(23)7-14(24)6-12/h3-10,28H,11H2,1-2H3,(H2,25,31)(H,27,29).
What are the key properties of 5-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
5-[(3,5-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-[(3,5-difluorophenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).