N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide

C21H27F3N4O3 — CID 26200710

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)Cc2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H27F3N4O3/c1-4-5-9-27-18(25)17(19(30)26-20(27)31)28(12-13(2)3)16(29)11-14-7-6-8-15(10-14)21(22,23)24/h6-8,10,13H,4-5,9,11-12,25H2,1-3H3,(H,26,30,31)
InChIKeyHKZHEEFDYYZRLQ-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.17
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 26200710) has the molecular formula C21H27F3N4O3 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID26200710
Molecular FormulaC21H27F3N4O3
Molecular Weight440.47 g/mol
Exact Mass440.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)Cc2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H27F3N4O3/c1-4-5-9-27-18(25)17(19(30)26-20(27)31)28(12-13(2)3)16(29)11-14-7-6-8-15(10-14)21(22,23)24/h6-8,10,13H,4-5,9,11-12,25H2,1-3H3,(H,26,30,31)
InChIKeyHKZHEEFDYYZRLQ-UHFFFAOYSA-N
XLogP3.17
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4791309
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3,5-bis(trifluoromethyl)benzamide
CID 26200722
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide
CID 30846943
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 42989497
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-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(2-methylpropyl)propanamide
CID 38909026
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
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)-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 55376996

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 26200710) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide is CCCCn1c(N)c(N(CC(C)C)C(=O)Cc2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HKZHEEFDYYZRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O3/c1-4-5-9-27-18(25)17(19(30)26-20(27)31)28(12-13(2)3)16(29)11-14-7-6-8-15(10-14)21(22,23)24/h6-8,10,13H,4-5,9,11-12,25H2,1-3H3,(H,26,30,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 440.47 g/mol, XLogP of 3.17, 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-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26200710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).