3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one

C26H29FN4O2 — CID 10238423

IUPAC3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2occc2c(=O)n1Cc1ccccc1)N(CCNC)Cc1ccc(F)cc1
InChIInChI=1S/C26H29FN4O2/c1-3-23(30(15-14-28-2)17-20-9-11-21(27)12-10-20)24-29-25-22(13-16-33-25)26(32)31(24)18-19-7-5-4-6-8-19/h4-13,16,23,28H,3,14-15,17-18H2,1-2H3
InChIKeyJOJOLDLRTSRTOH-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.35
Rot. Bonds10

About 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one

3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one (PubChem CID 10238423) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
PubChem CID10238423
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2occc2c(=O)n1Cc1ccccc1)N(CCNC)Cc1ccc(F)cc1
InChIInChI=1S/C26H29FN4O2/c1-3-23(30(15-14-28-2)17-20-9-11-21(27)12-10-20)24-29-25-22(13-16-33-25)26(32)31(24)18-19-7-5-4-6-8-19/h4-13,16,23,28H,3,14-15,17-18H2,1-2H3
InChIKeyJOJOLDLRTSRTOH-UHFFFAOYSA-N
XLogP4.35
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10310462
2-[1-[2-aminoethyl-[(6-methoxy-3-pyridinyl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10310448
2-[1-[2-aminoethyl-[(2-methoxypyrimidin-5-yl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10195109
5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10195168
3-benzyl-2-[1-[2-(methylamino)ethyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 10127484
N-[1-(3-benzyl-4-oxofuro[2,3-d]pyrimidin-2-yl)propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide
CID 10239605
6-[1-[(4-bromophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-5-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
CID 10311447
3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
2-[1-[3-aminopropyl-[(4-bromophenyl)methyl]amino]propyl]-3-benzyl-7-chloroquinazolin-4-one
CID 59205671
N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide
CID 10074307
N-[1-(1-benzyl-5-methoxy-6-oxopyrimidin-2-yl)propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide
CID 10479025
3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one
CID 10288591

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one (CID 10238423) is 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one is CCC(c1nc2occc2c(=O)n1Cc1ccccc1)N(CCNC)Cc1ccc(F)cc1.
What is the InChIKey of 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one?
The InChIKey is JOJOLDLRTSRTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-3-23(30(15-14-28-2)17-20-9-11-21(27)12-10-20)24-29-25-22(13-16-33-25)26(32)31(24)18-19-7-5-4-6-8-19/h4-13,16,23,28H,3,14-15,17-18H2,1-2H3.
What are the key properties of 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one?
3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one has a molecular weight of 448.54 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10238423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).