8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine

C68H67F3N16O3 — CID 158284341

IUPAC8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)ccn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)cc3)c2n1
InChIInChI=1S/C25H26FN5O.C22H20FN5O.C21H21FN6O/c1-16-14-31-24(29-16)20(18-6-4-17(5-7-18)15-30(2)3)12-27-25(31)28-13-21-19-10-11-32-23(19)9-8-22(21)26;1-13-9-15(5-7-24-13)17-10-25-22(28-12-14(2)27-21(17)28)26-11-18-16-6-8-29-20(16)4-3-19(18)23;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22/h4-9,12,14H,10-11,13,15H2,1-3H3,(H,27,28);3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26);4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,24)
InChIKeyGKPBLYQIWCAUBT-UHFFFAOYSA-N
MW1213.39 g/mol
LogP11.98
Rot. Bonds14

About 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine

8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 158284341) has the molecular formula C68H67F3N16O3 and a molecular weight of 1213.39 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID158284341
Molecular FormulaC68H67F3N16O3
Molecular Weight1213.39 g/mol
Exact Mass1212.55
IUPAC Name8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)ccn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)cc3)c2n1
InChIInChI=1S/C25H26FN5O.C22H20FN5O.C21H21FN6O/c1-16-14-31-24(29-16)20(18-6-4-17(5-7-18)15-30(2)3)12-27-25(31)28-13-21-19-10-11-32-23(19)9-8-22(21)26;1-13-9-15(5-7-24-13)17-10-25-22(28-12-14(2)27-21(17)28)26-11-18-16-6-8-29-20(16)4-3-19(18)23;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22/h4-9,12,14H,10-11,13,15H2,1-3H3,(H,27,28);3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26);4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,24)
InChIKeyGKPBLYQIWCAUBT-UHFFFAOYSA-N
XLogP11.98
TPSA188.30 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms90
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.39
LogP ≤ 511.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine (CID 158284341) is 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)ccn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)cc3)c2n1.
What is the InChIKey of 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is GKPBLYQIWCAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O.C22H20FN5O.C21H21FN6O/c1-16-14-31-24(29-16)20(18-6-4-17(5-7-18)15-30(2)3)12-27-25(31)28-13-21-19-10-11-32-23(19)9-8-22(21)26;1-13-9-15(5-7-24-13)17-10-25-22(28-12-14(2)27-21(17)28)26-11-18-16-6-8-29-20(16)4-3-19(18)23;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22/h4-9,12,14H,10-11,13,15H2,1-3H3,(H,27,28);3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26);4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,24).
What are the key properties of 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1213.39 g/mol, XLogP of 11.98, 14 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 158284341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).