2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine

C21H20FN7O — CID 155382878

IUPAC2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4occc34)n3cc(CN)nc23)n(C)n1
InChIInChI=1S/C21H20FN7O/c1-12-7-18(28(2)27-12)16-10-25-21(29-11-13(8-23)26-20(16)29)24-9-15-14-5-6-30-19(14)4-3-17(15)22/h3-7,10-11H,8-9,23H2,1-2H3,(H,24,25)
InChIKeyJCXTXXNEODSHER-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.39
Rot. Bonds5

About 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine

2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155382878) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155382878
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4occc34)n3cc(CN)nc23)n(C)n1
InChIInChI=1S/C21H20FN7O/c1-12-7-18(28(2)27-12)16-10-25-21(29-11-13(8-23)26-20(16)29)24-9-15-14-5-6-30-19(14)4-3-17(15)22/h3-7,10-11H,8-9,23H2,1-2H3,(H,24,25)
InChIKeyJCXTXXNEODSHER-UHFFFAOYSA-N
XLogP3.39
TPSA99.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine (CID 155382878) is 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4occc34)n3cc(CN)nc23)n(C)n1.
What is the InChIKey of 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is JCXTXXNEODSHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-12-7-18(28(2)27-12)16-10-25-21(29-11-13(8-23)26-20(16)29)24-9-15-14-5-6-30-19(14)4-3-17(15)22/h3-7,10-11H,8-9,23H2,1-2H3,(H,24,25).
What are the key properties of 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 405.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155382878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).