6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione

C11H15F3N4O3 — CID 106214870

IUPAC6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NC2(C(F)(F)F)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15F3N4O3/c1-21-5-4-18-7(15)6(8(19)16-9(18)20)17-10(2-3-10)11(12,13)14/h17H,2-5,15H2,1H3,(H,16,19,20)
InChIKeyXGRUQCRAAVSWRJ-UHFFFAOYSA-N
MW308.26 g/mol
LogP0.27
Rot. Bonds5

About 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione (PubChem CID 106214870) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
PubChem CID106214870
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NC2(C(F)(F)F)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15F3N4O3/c1-21-5-4-18-7(15)6(8(19)16-9(18)20)17-10(2-3-10)11(12,13)14/h17H,2-5,15H2,1H3,(H,16,19,20)
InChIKeyXGRUQCRAAVSWRJ-UHFFFAOYSA-N
XLogP0.27
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
CID 106215099
6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 62517996
6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
CID 104762438
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione
CID 106192155
6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60661650
6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione
CID 62525076
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-1-ethyl-5-[(1-methylcyclobutyl)amino]pyrimidine-2,4-dione
CID 115765441

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione (CID 106214870) is 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione is COCCn1c(N)c(NC2(C(F)(F)F)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione?
The InChIKey is XGRUQCRAAVSWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c1-21-5-4-18-7(15)6(8(19)16-9(18)20)17-10(2-3-10)11(12,13)14/h17H,2-5,15H2,1H3,(H,16,19,20).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione has a molecular weight of 308.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 106214870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).