N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide

C15H22F3N5O3 — CID 146556939

IUPACN-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide
SMILESCCN(CCNC/C=C/c1c[nH]c(=O)[nH]c1=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C15H22F3N5O3/c1-2-23(9-7-20-13(25)15(16,17)18)8-6-19-5-3-4-11-10-21-14(26)22-12(11)24/h3-4,10,19H,2,5-9H2,1H3,(H,20,25)(H2,21,22,24,26)/b4-3+
InChIKeyFUPMVNDDOYGKNL-ONEGZZNKSA-N
MW377.37 g/mol
LogP-0.33
Rot. Bonds10

About N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide

N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 146556939) has the molecular formula C15H22F3N5O3 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID146556939
Molecular FormulaC15H22F3N5O3
Molecular Weight377.37 g/mol
Exact Mass377.17
IUPAC NameN-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide
SMILESCCN(CCNC/C=C/c1c[nH]c(=O)[nH]c1=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C15H22F3N5O3/c1-2-23(9-7-20-13(25)15(16,17)18)8-6-19-5-3-4-11-10-21-14(26)22-12(11)24/h3-4,10,19H,2,5-9H2,1H3,(H,20,25)(H2,21,22,24,26)/b4-3+
InChIKeyFUPMVNDDOYGKNL-ONEGZZNKSA-N
XLogP-0.33
TPSA110.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide (CID 146556939) is N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide is CCN(CCNC/C=C/c1c[nH]c(=O)[nH]c1=O)CCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is FUPMVNDDOYGKNL-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H22F3N5O3/c1-2-23(9-7-20-13(25)15(16,17)18)8-6-19-5-3-4-11-10-21-14(26)22-12(11)24/h3-4,10,19H,2,5-9H2,1H3,(H,20,25)(H2,21,22,24,26)/b4-3+.
What are the key properties of N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 377.37 g/mol, XLogP of -0.33, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 146556939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).