2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile

C16H11N5 — CID 166627017

IUPAC2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1-c1ccncc1
InChIInChI=1S/C16H11N5/c17-10-13-14(11-4-2-1-3-5-11)20-16(18)21-15(13)12-6-8-19-9-7-12/h1-9H,(H2,18,20,21)
InChIKeyZQFWRYVAFXRGNA-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.66
Rot. Bonds2

About 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile

2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile (PubChem CID 166627017) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile
PubChem CID166627017
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1-c1ccncc1
InChIInChI=1S/C16H11N5/c17-10-13-14(11-4-2-1-3-5-11)20-16(18)21-15(13)12-6-8-19-9-7-12/h1-9H,(H2,18,20,21)
InChIKeyZQFWRYVAFXRGNA-UHFFFAOYSA-N
XLogP2.66
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile (CID 166627017) is 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccncc1.
What is the InChIKey of 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile?
The InChIKey is ZQFWRYVAFXRGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c17-10-13-14(11-4-2-1-3-5-11)20-16(18)21-15(13)12-6-8-19-9-7-12/h1-9H,(H2,18,20,21).
What are the key properties of 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile?
2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile has a molecular weight of 273.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-6-pyridin-4-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166627017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).