8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

C23H21FN8O — CID 139371000

IUPAC8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C23H21FN8O/c1-31(2)13-21-26-8-14(9-27-21)17-10-28-23(32-12-15(7-25)30-22(17)32)29-11-18-16-5-6-33-20(16)4-3-19(18)24/h3-4,8-10,12H,5-6,11,13H2,1-2H3,(H,28,29)
InChIKeyOGGJAWYOWLHRHX-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.81
Rot. Bonds6

About 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139371000) has the molecular formula C23H21FN8O and a molecular weight of 444.47 g/mol. Its IUPAC name is 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID139371000
Molecular FormulaC23H21FN8O
Molecular Weight444.47 g/mol
Exact Mass444.18
IUPAC Name8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C23H21FN8O/c1-31(2)13-21-26-8-14(9-27-21)17-10-28-23(32-12-15(7-25)30-22(17)32)29-11-18-16-5-6-33-20(16)4-3-19(18)24/h3-4,8-10,12H,5-6,11,13H2,1-2H3,(H,28,29)
InChIKeyOGGJAWYOWLHRHX-UHFFFAOYSA-N
XLogP2.81
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139371000) is 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.
What is the InChIKey of 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is OGGJAWYOWLHRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O/c1-31(2)13-21-26-8-14(9-27-21)17-10-28-23(32-12-15(7-25)30-22(17)32)29-11-18-16-5-6-33-20(16)4-3-19(18)24/h3-4,8-10,12H,5-6,11,13H2,1-2H3,(H,28,29).
What are the key properties of 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 444.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(dimethylamino)methyl]pyrimidin-5-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139371000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).