1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one

C24H25F2N5O — CID 110088842

IUPAC1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one
SMILESCNc1cc(C2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C24H25F2N5O/c1-27-22-12-21(17-11-24(32)31(14-17)20-9-7-19(26)8-10-20)28-23(29-22)15-30(2)13-16-3-5-18(25)6-4-16/h3-10,12,17H,11,13-15H2,1-2H3,(H,27,28,29)
InChIKeyIOPWCEITPXGIGI-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.95
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one

1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 110088842) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID110088842
Molecular FormulaC24H25F2N5O
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC Name1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one
SMILESCNc1cc(C2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C24H25F2N5O/c1-27-22-12-21(17-11-24(32)31(14-17)20-9-7-19(26)8-10-20)28-23(29-22)15-30(2)13-16-3-5-18(25)6-4-16/h3-10,12,17H,11,13-15H2,1-2H3,(H,27,28,29)
InChIKeyIOPWCEITPXGIGI-UHFFFAOYSA-N
XLogP3.95
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one (CID 110088842) is 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one is CNc1cc(C2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is IOPWCEITPXGIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O/c1-27-22-12-21(17-11-24(32)31(14-17)20-9-7-19(26)8-10-20)28-23(29-22)15-30(2)13-16-3-5-18(25)6-4-16/h3-10,12,17H,11,13-15H2,1-2H3,(H,27,28,29).
What are the key properties of 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 437.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 110088842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).