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

C21H19FN6O — CID 157298951

IUPAC8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C21H19FN6O/c1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22/h4-8,10-11H,9H2,1-3H3,(H,23,24)
InChIKeyWPRFWUSAGAOAAY-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.24
Rot. Bonds4

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

8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157298951) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID157298951
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C21H19FN6O/c1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22/h4-8,10-11H,9H2,1-3H3,(H,23,24)
InChIKeyWPRFWUSAGAOAAY-UHFFFAOYSA-N
XLogP4.24
TPSA73.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 157298951) is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cc(C)nn3C)c2n1.
What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is WPRFWUSAGAOAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22/h4-8,10-11H,9H2,1-3H3,(H,23,24).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 390.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157298951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).