N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide

C25H26F4N4O2 — CID 10074307

IUPACN-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide
SMILESCCC(c1ncc(C(F)(F)F)c(=O)n1Cc1ccccc1)N(CCNC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H26F4N4O2/c1-3-21(32(14-13-30-2)23(34)18-9-11-19(26)12-10-18)22-31-15-20(25(27,28)29)24(35)33(22)16-17-7-5-4-6-8-17/h4-12,15,21,30H,3,13-14,16H2,1-2H3
InChIKeyIXSMUIHYWSTWCF-UHFFFAOYSA-N
MW490.50 g/mol
LogP4.26
Rot. Bonds9

About N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide

N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide (PubChem CID 10074307) has the molecular formula C25H26F4N4O2 and a molecular weight of 490.50 g/mol. Its IUPAC name is N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide
PubChem CID10074307
Molecular FormulaC25H26F4N4O2
Molecular Weight490.50 g/mol
Exact Mass490.20
IUPAC NameN-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide
SMILESCCC(c1ncc(C(F)(F)F)c(=O)n1Cc1ccccc1)N(CCNC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H26F4N4O2/c1-3-21(32(14-13-30-2)23(34)18-9-11-19(26)12-10-18)22-31-15-20(25(27,28)29)24(35)33(22)16-17-7-5-4-6-8-17/h4-12,15,21,30H,3,13-14,16H2,1-2H3
InChIKeyIXSMUIHYWSTWCF-UHFFFAOYSA-N
XLogP4.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide
CID 10367699
N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 10346007
N-[1-(1-benzyl-5-methoxy-6-oxopyrimidin-2-yl)propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide
CID 10479025
N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-N-[2-(methylamino)ethyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 10367544
2-[1-(3-benzyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl-(4-fluorobenzoyl)amino]-N,N-dimethylethanamine oxide
CID 10217678
2-[1-(1-benzyl-6-oxo-5-phenylpyrimidin-2-yl)propyl-(4-bromobenzoyl)amino]-N,N-dimethylethanamine oxide
CID 10031312
N-(3-aminopropyl)-N-[1-[5-benzyl-4-oxo-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide
CID 22222315
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-4-(trifluoromethyl)benzamide
CID 54757932
N-(2-aminoethyl)-N-[1-(3-benzyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]-4-bromobenzamide
CID 10128383
3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10238423
N-(3-anilinopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-methylbenzamide
CID 69219991

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide (CID 10074307) is N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide is CCC(c1ncc(C(F)(F)F)c(=O)n1Cc1ccccc1)N(CCNC)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is IXSMUIHYWSTWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N4O2/c1-3-21(32(14-13-30-2)23(34)18-9-11-19(26)12-10-18)22-31-15-20(25(27,28)29)24(35)33(22)16-17-7-5-4-6-8-17/h4-12,15,21,30H,3,13-14,16H2,1-2H3.
What are the key properties of N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide?
N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 490.50 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 10074307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).