N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide

C24H24F4N4O2 — CID 10367699

IUPACN-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide
SMILESCCC(c1ncc(C(F)(F)F)c(=O)n1Cc1ccccc1)N(CCN)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F4N4O2/c1-2-20(31(13-12-29)22(33)17-8-10-18(25)11-9-17)21-30-14-19(24(26,27)28)23(34)32(21)15-16-6-4-3-5-7-16/h3-11,14,20H,2,12-13,15,29H2,1H3
InChIKeyOSPIKLQOBQJNMK-UHFFFAOYSA-N
MW476.47 g/mol
LogP4.00
Rot. Bonds8

About N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide

N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide (PubChem CID 10367699) has the molecular formula C24H24F4N4O2 and a molecular weight of 476.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide
PubChem CID10367699
Molecular FormulaC24H24F4N4O2
Molecular Weight476.47 g/mol
Exact Mass476.18
IUPAC NameN-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide
SMILESCCC(c1ncc(C(F)(F)F)c(=O)n1Cc1ccccc1)N(CCN)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F4N4O2/c1-2-20(31(13-12-29)22(33)17-8-10-18(25)11-9-17)21-30-14-19(24(26,27)28)23(34)32(21)15-16-6-4-3-5-7-16/h3-11,14,20H,2,12-13,15,29H2,1H3
InChIKeyOSPIKLQOBQJNMK-UHFFFAOYSA-N
XLogP4.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 10346007
N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide
CID 10074307
N-[1-(1-benzyl-5-methoxy-6-oxopyrimidin-2-yl)propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide
CID 10479025
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-(2-aminoethyl)-N-[1-(3-benzyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]-4-bromobenzamide
CID 10128383
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
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-4-(trifluoromethyl)benzamide
CID 54757932
2-[1-(1-benzyl-6-oxo-5-phenylpyrimidin-2-yl)propyl-(4-bromobenzoyl)amino]-N,N-dimethylethanamine oxide
CID 10031312
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54756913
N-(2-aminoethyl)-N-[1-(3-benzyl-7-chloro-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 11755427
N-(3-aminopropyl)-N-[1-[5-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide;hydron;chloride
CID 68818697
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide?
The IUPAC name of N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide (CID 10367699) is N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide is CCC(c1ncc(C(F)(F)F)c(=O)n1Cc1ccccc1)N(CCN)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide?
The InChIKey is OSPIKLQOBQJNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2/c1-2-20(31(13-12-29)22(33)17-8-10-18(25)11-9-17)21-30-14-19(24(26,27)28)23(34)32(21)15-16-6-4-3-5-7-16/h3-11,14,20H,2,12-13,15,29H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide?
N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide has a molecular weight of 476.47 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide is sourced from PubChem (CID 10367699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).