1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone

C12H14FN5O — CID 158083571

IUPAC1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2ncc(F)c(N)n2)nc1C(C)C
InChIInChI=1S/C12H14FN5O/c1-6(2)12-16-9(5-18(12)7(3)19)11-15-4-8(13)10(14)17-11/h4-6H,1-3H3,(H2,14,15,17)
InChIKeyKJAAQDYJJFPVIY-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.84
Rot. Bonds2

About 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone

1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone (PubChem CID 158083571) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone
PubChem CID158083571
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2ncc(F)c(N)n2)nc1C(C)C
InChIInChI=1S/C12H14FN5O/c1-6(2)12-16-9(5-18(12)7(3)19)11-15-4-8(13)10(14)17-11/h4-6H,1-3H3,(H2,14,15,17)
InChIKeyKJAAQDYJJFPVIY-UHFFFAOYSA-N
XLogP1.84
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone 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

N-(2-(1H-imidazol-1-yl)pyrimidin-5-yl)acetamide
CID 71789852
N-(2-(1H-imidazol-1-yl)pyrimidin-5-yl)-2-(N-methylacetamido)acetamide
CID 71789871
N-methyl-N-(2-((2-(2-methyl-1H-imidazol-1-yl)pyrimidin-5-yl)amino)-2-oxoethyl)acetamide
CID 71789895
N-(2-(2-methyl-1H-imidazol-1-yl)pyrimidin-5-yl)pivalamide
CID 71789877
N-[(7-fluoro-5-methylimidazo[1,2-c]pyrimidin-8-yl)methyl]acetamide
CID 117621533
1-[4-(4-Chloro-5-fluoropyrimidin-2-yl)-2-(1,1-diiodoethyl)imidazol-1-yl]ethanone
CID 132002350
1-[2-(1,1-Diiodoethyl)-4-[5-fluoro-4-(octylamino)pyrimidin-2-yl]imidazol-1-yl]ethanone
CID 132002351
1-[4-[2-[3-[(Z)-3,3-difluoro-2-(methylideneamino)but-1-enyl]-2-methylimidazol-4-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139359844
2,2,2-Trifluoro-1-purin-1-ylethanone
CID 141002928
5-Fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
CID 141123766
1-[4-(4-Chloro-5-fluoropyrimidin-2-yl)-2-[3-(ethylideneamino)pentan-3-yl]imidazol-1-yl]ethanone
CID 163691563
9-(2,2-Difluoroethyl)-7-methyl-2-propan-2-ylpurin-8-one
CID 168209406

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone (CID 158083571) is 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone is CC(=O)n1cc(-c2ncc(F)c(N)n2)nc1C(C)C.
What is the InChIKey of 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone?
The InChIKey is KJAAQDYJJFPVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-6(2)12-16-9(5-18(12)7(3)19)11-15-4-8(13)10(14)17-11/h4-6H,1-3H3,(H2,14,15,17).
What are the key properties of 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone?
1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone has a molecular weight of 263.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone is sourced from PubChem (CID 158083571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).