4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

C10H14F3N3O2 — CID 136890397

IUPAC4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(COCC(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-3-6-8(14)15-7(16-9(6)17)4-18-5-10(11,12)13/h2-5H2,1H3,(H3,14,15,16,17)
InChIKeyYXLXHJSEXQGQTO-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.38
Rot. Bonds5

About 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136890397) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
PubChem CID136890397
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(COCC(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-3-6-8(14)15-7(16-9(6)17)4-18-5-10(11,12)13/h2-5H2,1H3,(H3,14,15,16,17)
InChIKeyYXLXHJSEXQGQTO-UHFFFAOYSA-N
XLogP1.38
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-5-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146611
5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473470
4-hydroxy-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473471
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473472
4-hydroxy-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473473
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113780657
5-ethyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819703
4-hydroxy-5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819704
4-amino-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136077669
4-amino-5-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288769
4-amino-5-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842416
4-amino-5-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842417

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (CID 136890397) is 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is CCCc1c(N)nc(COCC(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is YXLXHJSEXQGQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-3-6-8(14)15-7(16-9(6)17)4-18-5-10(11,12)13/h2-5H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 265.23 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136890397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).