4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile

C21H16FN7 — CID 67511449

IUPAC4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cnc2ccc(F)cc2c1-c1ccccn1
InChIInChI=1S/C21H16FN7/c1-12(29-21-15(9-23)20(24)27-11-28-21)16-10-26-17-6-5-13(22)8-14(17)19(16)18-4-2-3-7-25-18/h2-8,10-12H,1H3,(H3,24,27,28,29)
InChIKeyKIONTXSVTLHWPI-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.85
Rot. Bonds4

About 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 67511449) has the molecular formula C21H16FN7 and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID67511449
Molecular FormulaC21H16FN7
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC Name4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cnc2ccc(F)cc2c1-c1ccccn1
InChIInChI=1S/C21H16FN7/c1-12(29-21-15(9-23)20(24)27-11-28-21)16-10-26-17-6-5-13(22)8-14(17)19(16)18-4-2-3-7-25-18/h2-8,10-12H,1H3,(H3,24,27,28,29)
InChIKeyKIONTXSVTLHWPI-UHFFFAOYSA-N
XLogP3.85
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile (CID 67511449) is 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile is CC(Nc1ncnc(N)c1C#N)c1cnc2ccc(F)cc2c1-c1ccccn1.
What is the InChIKey of 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is KIONTXSVTLHWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7/c1-12(29-21-15(9-23)20(24)27-11-28-21)16-10-26-17-6-5-13(22)8-14(17)19(16)18-4-2-3-7-25-18/h2-8,10-12H,1H3,(H3,24,27,28,29).
What are the key properties of 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 385.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 67511449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).