4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile

C15H8ClN5 — CID 135388050

IUPAC4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(-c2cncnc2)nc1-c1ccccc1
InChIInChI=1S/C15H8ClN5/c16-14-12(6-17)13(10-4-2-1-3-5-10)20-15(21-14)11-7-18-9-19-8-11/h1-5,7-9H
InChIKeyJFNZUACBDNYRFY-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.13
Rot. Bonds2

About 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile

4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile (PubChem CID 135388050) has the molecular formula C15H8ClN5 and a molecular weight of 293.72 g/mol. Its IUPAC name is 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile
PubChem CID135388050
Molecular FormulaC15H8ClN5
Molecular Weight293.72 g/mol
Exact Mass293.05
IUPAC Name4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(-c2cncnc2)nc1-c1ccccc1
InChIInChI=1S/C15H8ClN5/c16-14-12(6-17)13(10-4-2-1-3-5-10)20-15(21-14)11-7-18-9-19-8-11/h1-5,7-9H
InChIKeyJFNZUACBDNYRFY-UHFFFAOYSA-N
XLogP3.13
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile (CID 135388050) is 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile is N#Cc1c(Cl)nc(-c2cncnc2)nc1-c1ccccc1.
What is the InChIKey of 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile?
The InChIKey is JFNZUACBDNYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN5/c16-14-12(6-17)13(10-4-2-1-3-5-10)20-15(21-14)11-7-18-9-19-8-11/h1-5,7-9H.
What are the key properties of 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile?
4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile has a molecular weight of 293.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 135388050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).