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

C22H18FN7O — CID 139346147

IUPAC8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESCc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)n1
InChIInChI=1S/C22H18FN7O/c1-12-15(8-25-13(2)29-12)17-10-27-22(30-11-28-19(7-24)21(17)30)26-9-16-14-5-6-31-20(14)4-3-18(16)23/h3-4,8,10-11H,5-6,9H2,1-2H3,(H,26,27)
InChIKeyIIIOCCSATMOANP-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.36
Rot. Bonds4

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

8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile (PubChem CID 139346147) has the molecular formula C22H18FN7O and a molecular weight of 415.43 g/mol. Its IUPAC name is 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile.

Molecular Properties

Compound Name8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile
PubChem CID139346147
Molecular FormulaC22H18FN7O
Molecular Weight415.43 g/mol
Exact Mass415.16
IUPAC Name8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESCc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)n1
InChIInChI=1S/C22H18FN7O/c1-12-15(8-25-13(2)29-12)17-10-27-22(30-11-28-19(7-24)21(17)30)26-9-16-14-5-6-31-20(14)4-3-18(16)23/h3-4,8,10-11H,5-6,9H2,1-2H3,(H,26,27)
InChIKeyIIIOCCSATMOANP-UHFFFAOYSA-N
XLogP3.36
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile?
The IUPAC name of 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile (CID 139346147) is 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile.
What is the SMILES notation for 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile?
The canonical SMILES for 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile is Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)n1.
What is the InChIKey of 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile?
The InChIKey is IIIOCCSATMOANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O/c1-12-15(8-25-13(2)29-12)17-10-27-22(30-11-28-19(7-24)21(17)30)26-9-16-14-5-6-31-20(14)4-3-18(16)23/h3-4,8,10-11H,5-6,9H2,1-2H3,(H,26,27).
What are the key properties of 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile?
8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile has a molecular weight of 415.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carbonitrile is sourced from PubChem (CID 139346147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).