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

C25H25ClFN5O — CID 159603267

IUPAC8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)cc3Cl)c2n1
InChIInChI=1S/C25H25ClFN5O/c1-15-13-32-24(30-15)20(17-5-4-16(10-21(17)26)14-31(2)3)12-29-25(32)28-11-19-18-8-9-33-23(18)7-6-22(19)27/h4-7,10,12-13H,8-9,11,14H2,1-3H3,(H,28,29)
InChIKeyKAVNEUIHIVTGES-UHFFFAOYSA-N
MW465.96 g/mol
LogP5.11
Rot. Bonds6

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

8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 159603267) has the molecular formula C25H25ClFN5O and a molecular weight of 465.96 g/mol. Its IUPAC name is 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID159603267
Molecular FormulaC25H25ClFN5O
Molecular Weight465.96 g/mol
Exact Mass465.17
IUPAC Name8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)cc3Cl)c2n1
InChIInChI=1S/C25H25ClFN5O/c1-15-13-32-24(30-15)20(17-5-4-16(10-21(17)26)14-31(2)3)12-29-25(32)28-11-19-18-8-9-33-23(18)7-6-22(19)27/h4-7,10,12-13H,8-9,11,14H2,1-3H3,(H,28,29)
InChIKeyKAVNEUIHIVTGES-UHFFFAOYSA-N
XLogP5.11
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 159603267) is 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)cc3Cl)c2n1.
What is the InChIKey of 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is KAVNEUIHIVTGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O/c1-15-13-32-24(30-15)20(17-5-4-16(10-21(17)26)14-31(2)3)12-29-25(32)28-11-19-18-8-9-33-23(18)7-6-22(19)27/h4-7,10,12-13H,8-9,11,14H2,1-3H3,(H,28,29).
What are the key properties of 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 465.96 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-chloro-4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 159603267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).