1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione

C9H12F3N3O2 — CID 43664936

IUPAC1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCC(F)(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C9H12F3N3O2/c1-14-6(4-13-5-9(10,11)12)3-7(16)15(2)8(14)17/h3,13H,4-5H2,1-2H3
InChIKeyJXFCHBRUKJADLK-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.26
Rot. Bonds3

About 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione (PubChem CID 43664936) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione
PubChem CID43664936
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCC(F)(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C9H12F3N3O2/c1-14-6(4-13-5-9(10,11)12)3-7(16)15(2)8(14)17/h3,13H,4-5H2,1-2H3
InChIKeyJXFCHBRUKJADLK-UHFFFAOYSA-N
XLogP-0.26
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
Uracil, 6-methyl-4-propyl-
CID 165610
6-(Aminomethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 12328989
3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 1472056
6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 250186
3-Allyl-6-methyluracil
CID 13602047
N-((2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)methyl)acetamide
CID 21793940
N~1~,N~2~-dimethyl-N~2~-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]glycinamide
CID 91842553
3-allyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 1472057
1-Methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11172400
3-isopropyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 11206812
1-Methyl-6-trifluoromethylpyrimidine-2,4-dione
CID 11435480

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione (CID 43664936) is 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione is Cn1c(CNCC(F)(F)F)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is JXFCHBRUKJADLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-14-6(4-13-5-9(10,11)12)3-7(16)15(2)8(14)17/h3,13H,4-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 251.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 43664936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).