4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile

C20H19N5 — CID 1480482

IUPAC4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCCN(CC)c1nc(-c2ccccn2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C20H19N5/c1-3-25(4-2)20-16(14-21)18(15-10-6-5-7-11-15)23-19(24-20)17-12-8-9-13-22-17/h5-13H,3-4H2,1-2H3
InChIKeySKEPZBWZVMRFSJ-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.92
Rot. Bonds5

About 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile

4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile (PubChem CID 1480482) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
PubChem CID1480482
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCCN(CC)c1nc(-c2ccccn2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C20H19N5/c1-3-25(4-2)20-16(14-21)18(15-10-6-5-7-11-15)23-19(24-20)17-12-8-9-13-22-17/h5-13H,3-4H2,1-2H3
InChIKeySKEPZBWZVMRFSJ-UHFFFAOYSA-N
XLogP3.92
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile (CID 1480482) is 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile is CCN(CC)c1nc(-c2ccccn2)nc(-c2ccccc2)c1C#N.
What is the InChIKey of 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile?
The InChIKey is SKEPZBWZVMRFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-3-25(4-2)20-16(14-21)18(15-10-6-5-7-11-15)23-19(24-20)17-12-8-9-13-22-17/h5-13H,3-4H2,1-2H3.
What are the key properties of 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile?
4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile has a molecular weight of 329.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-6-phenyl-2-pyridin-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 1480482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).