N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid

C23H24F3N5O4 — CID 154890364

IUPACN,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(CC(=O)N(C)C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23N5O2.C2HF3O2/c1-25(2)20(28)14-26(3)13-15-6-8-16(9-7-15)21-23-18(11-19(27)24-21)17-5-4-10-22-12-17;3-2(4,5)1(6)7/h4-12H,13-14H2,1-3H3,(H,23,24,27);(H,6,7)
InChIKeyMUQJYYKMAICOCN-UHFFFAOYSA-N
MW491.47 g/mol
LogP2.65
Rot. Bonds6

About N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 154890364) has the molecular formula C23H24F3N5O4 and a molecular weight of 491.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid
PubChem CID154890364
Molecular FormulaC23H24F3N5O4
Molecular Weight491.47 g/mol
Exact Mass491.18
IUPAC NameN,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(CC(=O)N(C)C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23N5O2.C2HF3O2/c1-25(2)20(28)14-26(3)13-15-6-8-16(9-7-15)21-23-18(11-19(27)24-21)17-5-4-10-22-12-17;3-2(4,5)1(6)7/h4-12H,13-14H2,1-3H3,(H,23,24,27);(H,6,7)
InChIKeyMUQJYYKMAICOCN-UHFFFAOYSA-N
XLogP2.65
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one;bis(2,2,2-trifluoroacetic acid)
CID 154891318
4-butyl-2-[4-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenyl]-1H-pyrimidin-6-one;bis(2,2,2-trifluoroacetic acid)
CID 154885541
2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135891008
2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136668740
2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide
CID 135990333
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
2-[4-(piperidin-1-ylmethyl)phenyl]-4-pyridin-4-yl-1H-pyrimidin-6-one;bis(2,2,2-trifluoroacetic acid)
CID 154890395
2-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966207
2-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966306
2-[3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135948717
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
2-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135987008

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid (CID 154890364) is N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid is CN(CC(=O)N(C)C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is MUQJYYKMAICOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.C2HF3O2/c1-25(2)20(28)14-26(3)13-15-6-8-16(9-7-15)21-23-18(11-19(27)24-21)17-5-4-10-22-12-17;3-2(4,5)1(6)7/h4-12H,13-14H2,1-3H3,(H,23,24,27);(H,6,7).
What are the key properties of N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 491.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154890364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).