N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C18H18F3N3O3 — CID 75434008

IUPACN-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC1C(=O)N=C(CCNC(=O)C2CC2c2cccc(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C18H18F3N3O3/c1-9-15(25)23-14(24-16(9)26)5-6-22-17(27)13-8-12(13)10-3-2-4-11(7-10)18(19,20)21/h2-4,7,9,12-13H,5-6,8H2,1H3,(H,22,27)(H,23,24,25,26)
InChIKeyANWVEAUKBSWQJH-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 75434008) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID75434008
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC1C(=O)N=C(CCNC(=O)C2CC2c2cccc(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C18H18F3N3O3/c1-9-15(25)23-14(24-16(9)26)5-6-22-17(27)13-8-12(13)10-3-2-4-11(7-10)18(19,20)21/h2-4,7,9,12-13H,5-6,8H2,1H3,(H,22,27)(H,23,24,25,26)
InChIKeyANWVEAUKBSWQJH-UHFFFAOYSA-N
XLogP2.01
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 75434008) is N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CC1C(=O)N=C(CCNC(=O)C2CC2c2cccc(C(F)(F)F)c2)NC1=O.
What is the InChIKey of N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ANWVEAUKBSWQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-9-15(25)23-14(24-16(9)26)5-6-22-17(27)13-8-12(13)10-3-2-4-11(7-10)18(19,20)21/h2-4,7,9,12-13H,5-6,8H2,1H3,(H,22,27)(H,23,24,25,26).
What are the key properties of N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 75434008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).