5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine

C11H14FN5 — CID 69102130

IUPAC5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine
SMILESCc1nc(-c2nc(N)ncc2F)c(C(C)C)[nH]1
InChIInChI=1S/C11H14FN5/c1-5(2)8-10(16-6(3)15-8)9-7(12)4-14-11(13)17-9/h4-5H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyGAVUUKATYMUPCT-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.02
Rot. Bonds2

About 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine

5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine (PubChem CID 69102130) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine
PubChem CID69102130
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine
SMILESCc1nc(-c2nc(N)ncc2F)c(C(C)C)[nH]1
InChIInChI=1S/C11H14FN5/c1-5(2)8-10(16-6(3)15-8)9-7(12)4-14-11(13)17-9/h4-5H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyGAVUUKATYMUPCT-UHFFFAOYSA-N
XLogP2.02
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine (CID 69102130) is 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine is Cc1nc(-c2nc(N)ncc2F)c(C(C)C)[nH]1.
What is the InChIKey of 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine?
The InChIKey is GAVUUKATYMUPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-5(2)8-10(16-6(3)15-8)9-7(12)4-14-11(13)17-9/h4-5H,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine?
5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine has a molecular weight of 235.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 69102130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).