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

C13H17FN6 — CID 80830963

IUPAC4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCn3ccnc3C2)n1
InChIInChI=1S/C13H17FN6/c1-2-3-16-13-17-8-10(14)12(18-13)20-7-6-19-5-4-15-11(19)9-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17,18)
InChIKeyIVSFVVQYYMDCLN-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.65
Rot. Bonds4

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

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80830963) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80830963
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCn3ccnc3C2)n1
InChIInChI=1S/C13H17FN6/c1-2-3-16-13-17-8-10(14)12(18-13)20-7-6-19-5-4-15-11(19)9-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17,18)
InChIKeyIVSFVVQYYMDCLN-UHFFFAOYSA-N
XLogP1.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.65
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-propylpyrimidin-2-amine?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine (CID 80830963) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(N2CCn3ccnc3C2)n1.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is IVSFVVQYYMDCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6/c1-2-3-16-13-17-8-10(14)12(18-13)20-7-6-19-5-4-15-11(19)9-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17,18).
What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine?
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 276.32 g/mol, XLogP of 1.65, 4 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-propylpyrimidin-2-amine is sourced from PubChem (CID 80830963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).