1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine

C24H22FN5O — CID 155580127

IUPAC1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESC=Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3NC)c12
InChIInChI=1S/C24H22FN5O/c1-3-20-23-18(15-6-4-5-7-21(15)26-2)13-28-24(30(23)14-29-20)27-12-17-16-10-11-31-22(16)9-8-19(17)25/h3-9,13-14,26H,1,10-12H2,2H3,(H,27,28)
InChIKeyCMUVVDYLTQCIBX-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.77
Rot. Bonds6

About 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine

1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 155580127) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine
PubChem CID155580127
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESC=Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3NC)c12
InChIInChI=1S/C24H22FN5O/c1-3-20-23-18(15-6-4-5-7-21(15)26-2)13-28-24(30(23)14-29-20)27-12-17-16-10-11-31-22(16)9-8-19(17)25/h3-9,13-14,26H,1,10-12H2,2H3,(H,27,28)
InChIKeyCMUVVDYLTQCIBX-UHFFFAOYSA-N
XLogP4.77
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine (CID 155580127) is 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine is C=Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3NC)c12.
What is the InChIKey of 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is CMUVVDYLTQCIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-3-20-23-18(15-6-4-5-7-21(15)26-2)13-28-24(30(23)14-29-20)27-12-17-16-10-11-31-22(16)9-8-19(17)25/h3-9,13-14,26H,1,10-12H2,2H3,(H,27,28).
What are the key properties of 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine?
1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 415.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-(methylamino)phenyl]imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 155580127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).