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

C12H15FN6 — CID 80830823

IUPAC4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCn3ccnc3C2)n1
InChIInChI=1S/C12H15FN6/c1-2-14-12-16-7-9(13)11(17-12)19-6-5-18-4-3-15-10(18)8-19/h3-4,7H,2,5-6,8H2,1H3,(H,14,16,17)
InChIKeyXZCIMYLNXQRKGN-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.26
Rot. Bonds3

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

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80830823) has the molecular formula C12H15FN6 and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80830823
Molecular FormulaC12H15FN6
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCn3ccnc3C2)n1
InChIInChI=1S/C12H15FN6/c1-2-14-12-16-7-9(13)11(17-12)19-6-5-18-4-3-15-10(18)8-19/h3-4,7H,2,5-6,8H2,1H3,(H,14,16,17)
InChIKeyXZCIMYLNXQRKGN-UHFFFAOYSA-N
XLogP1.26
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.26
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)-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine (CID 80830823) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(N2CCn3ccnc3C2)n1.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is XZCIMYLNXQRKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6/c1-2-14-12-16-7-9(13)11(17-12)19-6-5-18-4-3-15-10(18)8-19/h3-4,7H,2,5-6,8H2,1H3,(H,14,16,17).
What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 262.29 g/mol, XLogP of 1.26, 3 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)-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80830823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).