N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide

C20H25F3N4O3 — CID 26185662

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide
SMILESCCCCN(C(=O)c1ccccc1C(F)(F)F)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C20H25F3N4O3/c1-3-5-11-26(18(29)13-9-7-8-10-14(13)20(21,22)23)15-16(24)27(12-6-4-2)19(30)25-17(15)28/h7-10H,3-6,11-12,24H2,1-2H3,(H,25,28,30)
InChIKeyGVKBGFOOFXGZHR-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.38
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide (PubChem CID 26185662) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide
PubChem CID26185662
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide
SMILESCCCCN(C(=O)c1ccccc1C(F)(F)F)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C20H25F3N4O3/c1-3-5-11-26(18(29)13-9-7-8-10-14(13)20(21,22)23)15-16(24)27(12-6-4-2)19(30)25-17(15)28/h7-10H,3-6,11-12,24H2,1-2H3,(H,25,28,30)
InChIKeyGVKBGFOOFXGZHR-UHFFFAOYSA-N
XLogP3.38
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-(trifluoromethyl)benzamide
CID 26205785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylbenzamide
CID 26185536
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(difluoromethoxy)benzamide
CID 26250944
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-(3-methylbutyl)benzamide
CID 26185350
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide
CID 18077269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 26186076
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134282
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-butyl-5-methoxybenzamide
CID 26185525
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide (CID 26185662) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide is CCCCN(C(=O)c1ccccc1C(F)(F)F)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide?
The InChIKey is GVKBGFOOFXGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-3-5-11-26(18(29)13-9-7-8-10-14(13)20(21,22)23)15-16(24)27(12-6-4-2)19(30)25-17(15)28/h7-10H,3-6,11-12,24H2,1-2H3,(H,25,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide has a molecular weight of 426.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 26185662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).