5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione

C10H14F3N3O3 — CID 63799042

IUPAC5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O3/c1-15-5-7(14)8(17)16(9(15)18)3-2-4-19-6-10(11,12)13/h5H,2-4,6,14H2,1H3
InChIKeyMXFCDYDWHGOLMN-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.10
Rot. Bonds5

About 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione

5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione (PubChem CID 63799042) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
PubChem CID63799042
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O3/c1-15-5-7(14)8(17)16(9(15)18)3-2-4-19-6-10(11,12)13/h5H,2-4,6,14H2,1H3
InChIKeyMXFCDYDWHGOLMN-UHFFFAOYSA-N
XLogP0.10
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione (CID 63799042) is 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione is Cn1cc(N)c(=O)n(CCCOCC(F)(F)F)c1=O.
What is the InChIKey of 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The InChIKey is MXFCDYDWHGOLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-15-5-7(14)8(17)16(9(15)18)3-2-4-19-6-10(11,12)13/h5H,2-4,6,14H2,1H3.
What are the key properties of 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione has a molecular weight of 281.23 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63799042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).