4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine

C17H16FN5 — CID 142175941

IUPAC4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2CCC3)n1
InChIInChI=1S/C17H16FN5/c1-19-17-20-9-8-13(21-17)16-15(11-4-6-12(18)7-5-11)22-14-3-2-10-23(14)16/h4-9H,2-3,10H2,1H3,(H,19,20,21)
InChIKeyRURFXNRXEKWMDP-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.13
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine

4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 142175941) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
PubChem CID142175941
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2CCC3)n1
InChIInChI=1S/C17H16FN5/c1-19-17-20-9-8-13(21-17)16-15(11-4-6-12(18)7-5-11)22-14-3-2-10-23(14)16/h4-9H,2-3,10H2,1H3,(H,19,20,21)
InChIKeyRURFXNRXEKWMDP-UHFFFAOYSA-N
XLogP3.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121350007
ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine
CID 143219842
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylimidazo[1,2-a]pyridine
CID 145148982
4-[(5S)-5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine
CID 142175758
4-[(5S)-5-[(5-chloroindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
CID 59640884
4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
CID 59641084
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
CID 116900518
4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824293
4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine
CID 69103133
1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 166068433
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
CID 143376446
1-ethynyl-4-[4-(4-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
CID 152782025

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine (CID 142175941) is 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2CCC3)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine?
The InChIKey is RURFXNRXEKWMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c1-19-17-20-9-8-13(21-17)16-15(11-4-6-12(18)7-5-11)22-14-3-2-10-23(14)16/h4-9H,2-3,10H2,1H3,(H,19,20,21).
What are the key properties of 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine?
4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 309.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 142175941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).