4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine

C11H13FN6 — CID 80830887

IUPAC4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCn3ccnc3C2)n1
InChIInChI=1S/C11H13FN6/c1-13-11-15-6-8(12)10(16-11)18-5-4-17-3-2-14-9(17)7-18/h2-3,6H,4-5,7H2,1H3,(H,13,15,16)
InChIKeyHTBNVTPTJXZISJ-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.87
Rot. Bonds2

About 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80830887) has the molecular formula C11H13FN6 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80830887
Molecular FormulaC11H13FN6
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCn3ccnc3C2)n1
InChIInChI=1S/C11H13FN6/c1-13-11-15-6-8(12)10(16-11)18-5-4-17-3-2-14-9(17)7-18/h2-3,6H,4-5,7H2,1H3,(H,13,15,16)
InChIKeyHTBNVTPTJXZISJ-UHFFFAOYSA-N
XLogP0.87
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80830887) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(N2CCn3ccnc3C2)n1.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is HTBNVTPTJXZISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6/c1-13-11-15-6-8(12)10(16-11)18-5-4-17-3-2-14-9(17)7-18/h2-3,6H,4-5,7H2,1H3,(H,13,15,16).
What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 248.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80830887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).