4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile

C20H15FN6 — CID 118573159

IUPAC4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCc1cc2ccccn2c1-c1cccc(F)c1
InChIInChI=1S/C20H15FN6/c21-15-5-3-4-13(8-15)18-14(9-16-6-1-2-7-27(16)18)11-24-20-17(10-22)19(23)25-12-26-20/h1-9,12H,11H2,(H3,23,24,25,26)
InChIKeyJRIBFGXUZMWSPM-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.60
Rot. Bonds4

About 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile

4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 118573159) has the molecular formula C20H15FN6 and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile
PubChem CID118573159
Molecular FormulaC20H15FN6
Molecular Weight358.38 g/mol
Exact Mass358.13
IUPAC Name4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCc1cc2ccccn2c1-c1cccc(F)c1
InChIInChI=1S/C20H15FN6/c21-15-5-3-4-13(8-15)18-14(9-16-6-1-2-7-27(16)18)11-24-20-17(10-22)19(23)25-12-26-20/h1-9,12H,11H2,(H3,23,24,25,26)
InChIKeyJRIBFGXUZMWSPM-UHFFFAOYSA-N
XLogP3.60
TPSA92.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile (CID 118573159) is 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile is N#Cc1c(N)ncnc1NCc1cc2ccccn2c1-c1cccc(F)c1.
What is the InChIKey of 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is JRIBFGXUZMWSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6/c21-15-5-3-4-13(8-15)18-14(9-16-6-1-2-7-27(16)18)11-24-20-17(10-22)19(23)25-12-26-20/h1-9,12H,11H2,(H3,23,24,25,26).
What are the key properties of 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile?
4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 358.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 118573159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).