2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one

C19H24FN5O2 — CID 136851106

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCN(C)CCN(C)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H24FN5O2/c1-23(2)8-9-24(3)19-21-16(11-17(26)22-19)13-10-18(27)25(12-13)15-6-4-14(20)5-7-15/h4-7,11,13H,8-10,12H2,1-3H3,(H,21,22,26)/t13-/m1/s1
InChIKeyLFBPLZGKBXCTEM-CYBMUJFWSA-N
MW373.43 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one

2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136851106) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136851106
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCN(C)CCN(C)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H24FN5O2/c1-23(2)8-9-24(3)19-21-16(11-17(26)22-19)13-10-18(27)25(12-13)15-6-4-14(20)5-7-15/h4-7,11,13H,8-10,12H2,1-3H3,(H,21,22,26)/t13-/m1/s1
InChIKeyLFBPLZGKBXCTEM-CYBMUJFWSA-N
XLogP1.43
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one
CID 136881829
2-(diethylamino)-4-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735163
4-[(3R)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one
CID 136869344
1-(4-fluorophenyl)-4-[2-[[(4-fluorophenyl)methyl-methylamino]methyl]-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-one
CID 110088842
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-hydroxy-N-methylacetamide
CID 110250786
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbutanamide
CID 110088818
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide
CID 110250823
N-[[4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-2-methoxy-N-methylacetamide
CID 92621056
4-[2-(1-acetylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 110250887
(4S)-4-[2-(1-acetylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 92619299
1-(4-fluorophenyl)-4-[6-(methylamino)-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-yl]pyrrolidin-2-one
CID 110250831
N-[[4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylcyclohexanecarboxamide
CID 110088824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136851106) is 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one is CN(C)CCN(C)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is LFBPLZGKBXCTEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-23(2)8-9-24(3)19-21-16(11-17(26)22-19)13-10-18(27)25(12-13)15-6-4-14(20)5-7-15/h4-7,11,13H,8-10,12H2,1-3H3,(H,21,22,26)/t13-/m1/s1.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 373.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-4-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136851106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).