N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide

C25H26FN5O2 — CID 110250823

IUPACN-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nc(C2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1)C(=O)c1ccccc1
InChIInChI=1S/C25H26FN5O2/c1-29(2)23-14-21(18-13-24(32)31(15-18)20-11-9-19(26)10-12-20)27-22(28-23)16-30(3)25(33)17-7-5-4-6-8-17/h4-12,14,18H,13,15-16H2,1-3H3
InChIKeyCMSMWTODSDIPIU-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.47
Rot. Bonds6

About N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide

N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide (PubChem CID 110250823) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide
PubChem CID110250823
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nc(C2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1)C(=O)c1ccccc1
InChIInChI=1S/C25H26FN5O2/c1-29(2)23-14-21(18-13-24(32)31(15-18)20-11-9-19(26)10-12-20)27-22(28-23)16-30(3)25(33)17-7-5-4-6-8-17/h4-12,14,18H,13,15-16H2,1-3H3
InChIKeyCMSMWTODSDIPIU-UHFFFAOYSA-N
XLogP3.47
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide (CID 110250823) is N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide is CN(Cc1nc(C2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1)C(=O)c1ccccc1.
What is the InChIKey of N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide?
The InChIKey is CMSMWTODSDIPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-29(2)23-14-21(18-13-24(32)31(15-18)20-11-9-19(26)10-12-20)27-22(28-23)16-30(3)25(33)17-7-5-4-6-8-17/h4-12,14,18H,13,15-16H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide?
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide has a molecular weight of 447.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 110250823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).