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

C25H23FN8O2 — CID 139346229

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESCc1nc(N2CCOCC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C#N)c12
InChIInChI=1S/C25H23FN8O2/c1-15-17(11-30-25(32-15)33-5-8-35-9-6-33)19-13-29-24(34-14-31-21(10-27)23(19)34)28-12-18-16-4-7-36-22(16)3-2-20(18)26/h2-3,11,13-14H,4-9,12H2,1H3,(H,28,29)
InChIKeyQNVHIEQAKJZCLP-UHFFFAOYSA-N
MW486.51 g/mol
LogP2.89
Rot. Bonds5

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile (PubChem CID 139346229) has the molecular formula C25H23FN8O2 and a molecular weight of 486.51 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile
PubChem CID139346229
Molecular FormulaC25H23FN8O2
Molecular Weight486.51 g/mol
Exact Mass486.19
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESCc1nc(N2CCOCC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C#N)c12
InChIInChI=1S/C25H23FN8O2/c1-15-17(11-30-25(32-15)33-5-8-35-9-6-33)19-13-29-24(34-14-31-21(10-27)23(19)34)28-12-18-16-4-7-36-22(16)3-2-20(18)26/h2-3,11,13-14H,4-9,12H2,1H3,(H,28,29)
InChIKeyQNVHIEQAKJZCLP-UHFFFAOYSA-N
XLogP2.89
TPSA113.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile (CID 139346229) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile is Cc1nc(N2CCOCC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C#N)c12.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
The InChIKey is QNVHIEQAKJZCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O2/c1-15-17(11-30-25(32-15)33-5-8-35-9-6-33)19-13-29-24(34-14-31-21(10-27)23(19)34)28-12-18-16-4-7-36-22(16)3-2-20(18)26/h2-3,11,13-14H,4-9,12H2,1H3,(H,28,29).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile has a molecular weight of 486.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,5-c]pyrimidine-1-carbonitrile is sourced from PubChem (CID 139346229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).