N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine

C12H14FN5 — CID 167872982

IUPACN-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine
SMILESCCc1ncnc(NC2Cc3cncn3C2)c1F
InChIInChI=1S/C12H14FN5/c1-2-10-11(13)12(16-6-15-10)17-8-3-9-4-14-7-18(9)5-8/h4,6-8H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyNXILWTROQGTVSG-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.41
Rot. Bonds3

About N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine

N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine (PubChem CID 167872982) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine.

Molecular Properties

Compound NameN-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine
PubChem CID167872982
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC NameN-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine
SMILESCCc1ncnc(NC2Cc3cncn3C2)c1F
InChIInChI=1S/C12H14FN5/c1-2-10-11(13)12(16-6-15-10)17-8-3-9-4-14-7-18(9)5-8/h4,6-8H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyNXILWTROQGTVSG-UHFFFAOYSA-N
XLogP1.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine?
The IUPAC name of N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine (CID 167872982) is N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine.
What is the SMILES notation for N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine?
The canonical SMILES for N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine is CCc1ncnc(NC2Cc3cncn3C2)c1F.
What is the InChIKey of N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine?
The InChIKey is NXILWTROQGTVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-2-10-11(13)12(16-6-15-10)17-8-3-9-4-14-7-18(9)5-8/h4,6-8H,2-3,5H2,1H3,(H,15,16,17).
What are the key properties of N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine?
N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine has a molecular weight of 247.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine is sourced from PubChem (CID 167872982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).