8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

C71H72F3N15O5 — CID 158120064

IUPAC8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCOCC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C(=O)N(C)C)cc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CC3)c2n1
InChIInChI=1S/C27H28FN5O2.C25H25FN6O2.C19H19FN4O/c1-18-16-33-26(31-18)22(20-4-2-19(3-5-20)17-32-9-12-34-13-10-32)14-29-27(33)30-15-23-21-8-11-35-25(21)7-6-24(23)28;1-14-9-21(24(33)31(3)4)27-10-17(14)19-12-29-25(32-13-15(2)30-23(19)32)28-11-18-16-7-8-34-22(16)6-5-20(18)26;1-11-10-24-18(23-11)14(12-2-3-12)8-21-19(24)22-9-15-13-6-7-25-17(13)5-4-16(15)20/h2-7,14,16H,8-13,15,17H2,1H3,(H,29,30);5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,28,29);4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,21,22)
InChIKeyFRMOFURPGBEZBX-UHFFFAOYSA-N
MW1272.45 g/mol
LogP11.62
Rot. Bonds15

About 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 158120064) has the molecular formula C71H72F3N15O5 and a molecular weight of 1272.45 g/mol. Its IUPAC name is 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID158120064
Molecular FormulaC71H72F3N15O5
Molecular Weight1272.45 g/mol
Exact Mass1271.58
IUPAC Name8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCOCC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C(=O)N(C)C)cc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CC3)c2n1
InChIInChI=1S/C27H28FN5O2.C25H25FN6O2.C19H19FN4O/c1-18-16-33-26(31-18)22(20-4-2-19(3-5-20)17-32-9-12-34-13-10-32)14-29-27(33)30-15-23-21-8-11-35-25(21)7-6-24(23)28;1-14-9-21(24(33)31(3)4)27-10-17(14)19-12-29-25(32-13-15(2)30-23(19)32)28-11-18-16-7-8-34-22(16)6-5-20(18)26;1-11-10-24-18(23-11)14(12-2-3-12)8-21-19(24)22-9-15-13-6-7-25-17(13)5-4-16(15)20/h2-7,14,16H,8-13,15,17H2,1H3,(H,29,30);5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,28,29);4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,21,22)
InChIKeyFRMOFURPGBEZBX-UHFFFAOYSA-N
XLogP11.62
TPSA200.02 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms94
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001272.45
LogP ≤ 511.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (CID 158120064) is 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCOCC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C(=O)N(C)C)cc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is FRMOFURPGBEZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2.C25H25FN6O2.C19H19FN4O/c1-18-16-33-26(31-18)22(20-4-2-19(3-5-20)17-32-9-12-34-13-10-32)14-29-27(33)30-15-23-21-8-11-35-25(21)7-6-24(23)28;1-14-9-21(24(33)31(3)4)27-10-17(14)19-12-29-25(32-13-15(2)30-23(19)32)28-11-18-16-7-8-34-22(16)6-5-20(18)26;1-11-10-24-18(23-11)14(12-2-3-12)8-21-19(24)22-9-15-13-6-7-25-17(13)5-4-16(15)20/h2-7,14,16H,8-13,15,17H2,1H3,(H,29,30);5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,28,29);4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,21,22).
What are the key properties of 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1272.45 g/mol, XLogP of 11.62, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 158120064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).