3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide

C8H8F3N3O3 — CID 71778360

IUPAC3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3N3O3/c1-14-6(16)4(2-12-7(14)17)5(15)13-3-8(9,10)11/h2H,3H2,1H3,(H,12,17)(H,13,15)
InChIKeyLCIDLVNTWABTCB-UHFFFAOYSA-N
MW251.16 g/mol
LogP-0.63
Rot. Bonds2

About 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide

3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 71778360) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
PubChem CID71778360
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3N3O3/c1-14-6(16)4(2-12-7(14)17)5(15)13-3-8(9,10)11/h2H,3H2,1H3,(H,12,17)(H,13,15)
InChIKeyLCIDLVNTWABTCB-UHFFFAOYSA-N
XLogP-0.63
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Trifluoromethyluracil
CID 5899
5-trifluoromethyl-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71720653
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 12692638
5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 408478
Uracil, 5-((bis(2-fluoroethyl)amino)methyl)-, monohydrochloride
CID 204601
1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 12458448
CID 421650
CID 421650
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
N(1)-(2-formylethyl)-5-fluorouracil
CID 92003
1-Methyl-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CID 13004982
3-acetyl-5-methylpyrimidine-2,4(1H,3H)-dione
CID 580962
3-Ethyl-5-methylpyrimidine-2,4(1H,3H)-dione
CID 19032318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide (CID 71778360) is 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is LCIDLVNTWABTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-14-6(16)4(2-12-7(14)17)5(15)13-3-8(9,10)11/h2H,3H2,1H3,(H,12,17)(H,13,15).
What are the key properties of 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 251.16 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 71778360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).