2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide

C9H11F3N4O3 — CID 141015012

IUPAC2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide
SMILESNC(=O)CNCCn1c(=O)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H11F3N4O3/c10-9(11,12)5-3-7(18)16(8(19)15-5)2-1-14-4-6(13)17/h3,14H,1-2,4H2,(H2,13,17)(H,15,19)
InChIKeySINXQUFIAGWZLJ-UHFFFAOYSA-N
MW280.21 g/mol
LogP-1.37
Rot. Bonds5

About 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide

2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide (PubChem CID 141015012) has the molecular formula C9H11F3N4O3 and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide
PubChem CID141015012
Molecular FormulaC9H11F3N4O3
Molecular Weight280.21 g/mol
Exact Mass280.08
IUPAC Name2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide
SMILESNC(=O)CNCCn1c(=O)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H11F3N4O3/c10-9(11,12)5-3-7(18)16(8(19)15-5)2-1-14-4-6(13)17/h3,14H,1-2,4H2,(H2,13,17)(H,15,19)
InChIKeySINXQUFIAGWZLJ-UHFFFAOYSA-N
XLogP-1.37
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
5-[bis(2-fluoroethyl)amino]-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 870528
N~1~,N~2~-dimethyl-N~2~-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]glycinamide
CID 91842553
3-isopropyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 11206812
1-Propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 17778451
1-Ethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 67696218
1-Butyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 70256396
6-(Aminomethyl)-1-methyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 124087357
1,3-Dimethyl-6-(methylamino)-5-[1-(trifluoromethoxy)ethylamino]pyrimidine-2,4-dione
CID 130445931
6-Methanimidoyl-1-methyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 137162931
3-(2,2-difluoroethyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 144763352
N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 151473261

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide?
The IUPAC name of 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide (CID 141015012) is 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide.
What is the SMILES notation for 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide?
The canonical SMILES for 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide is NC(=O)CNCCn1c(=O)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide?
The InChIKey is SINXQUFIAGWZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O3/c10-9(11,12)5-3-7(18)16(8(19)15-5)2-1-14-4-6(13)17/h3,14H,1-2,4H2,(H2,13,17)(H,15,19).
What are the key properties of 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide?
2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide has a molecular weight of 280.21 g/mol, XLogP of -1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide is sourced from PubChem (CID 141015012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).