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

C22H21FN6O2 — CID 139346074

IUPAC[8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-1-yl]methanol
SMILESCc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(CO)c23)c(C)n1
InChIInChI=1S/C22H21FN6O2/c1-12-15(7-24-13(2)28-12)17-9-26-22(29-11-27-19(10-30)21(17)29)25-8-16-14-5-6-31-20(14)4-3-18(16)23/h3-4,7,9,11,30H,5-6,8,10H2,1-2H3,(H,25,26)
InChIKeyAKZXZQQRQDPNDI-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.98
Rot. Bonds5

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

[8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-1-yl]methanol (PubChem CID 139346074) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 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]pyrimidin-1-yl]methanol.

Molecular Properties

Compound Name[8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-1-yl]methanol
PubChem CID139346074
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name[8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-1-yl]methanol
SMILESCc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(CO)c23)c(C)n1
InChIInChI=1S/C22H21FN6O2/c1-12-15(7-24-13(2)28-12)17-9-26-22(29-11-27-19(10-30)21(17)29)25-8-16-14-5-6-31-20(14)4-3-18(16)23/h3-4,7,9,11,30H,5-6,8,10H2,1-2H3,(H,25,26)
InChIKeyAKZXZQQRQDPNDI-UHFFFAOYSA-N
XLogP2.98
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-1-yl]methanol with MolForge

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Related Compounds

Mak-683
CID 121412508
8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
8-(2,6-dimethyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 146681125
US10676479, Example 10
CID 139346214
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 156018385
SC-46267
CID 154341
US11091495, Example 228
CID 152324986
(R){1-[9-Isopropyl-6-(3-methoxy-benzylamino)-9H-purin-2-yl]-pyrrolidin-2-yl}-methanol
CID 10786933
(2R,3R,4S,5R)-2-[6-amino-8-[[3-(4-hydroxybutoxy)-4-phenylphenyl]methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11613505
1-(3-(2-Fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438860
1-(3-(3-Fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438862
1-(3-(2,3-Difluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438883

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]pyrimidin-1-yl]methanol?
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]pyrimidin-1-yl]methanol (CID 139346074) is [8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-1-yl]methanol.
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]pyrimidin-1-yl]methanol?
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]pyrimidin-1-yl]methanol is Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(CO)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]pyrimidin-1-yl]methanol?
The InChIKey is AKZXZQQRQDPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-12-15(7-24-13(2)28-12)17-9-26-22(29-11-27-19(10-30)21(17)29)25-8-16-14-5-6-31-20(14)4-3-18(16)23/h3-4,7,9,11,30H,5-6,8,10H2,1-2H3,(H,25,26).
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]pyrimidin-1-yl]methanol?
[8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-1-yl]methanol has a molecular weight of 420.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 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]pyrimidin-1-yl]methanol is sourced from PubChem (CID 139346074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).