4,5-dichloro-2-phenylpyrimidine

C10H6Cl2N2 — CID 59762779

IUPAC4,5-dichloro-2-phenylpyrimidine
SMILESClc1cnc(-c2ccccc2)nc1Cl
InChIInChI=1S/C10H6Cl2N2/c11-8-6-13-10(14-9(8)12)7-4-2-1-3-5-7/h1-6H
InChIKeyVASKWKROZNSZGG-UHFFFAOYSA-N
MW225.08 g/mol
LogP3.45
Rot. Bonds1

About 4,5-dichloro-2-phenylpyrimidine

4,5-dichloro-2-phenylpyrimidine (PubChem CID 59762779) has the molecular formula C10H6Cl2N2 and a molecular weight of 225.08 g/mol. Its IUPAC name is 4,5-dichloro-2-phenylpyrimidine.

Molecular Properties

Compound Name4,5-dichloro-2-phenylpyrimidine
PubChem CID59762779
Molecular FormulaC10H6Cl2N2
Molecular Weight225.08 g/mol
Exact Mass223.99
IUPAC Name4,5-dichloro-2-phenylpyrimidine
SMILESClc1cnc(-c2ccccc2)nc1Cl
InChIInChI=1S/C10H6Cl2N2/c11-8-6-13-10(14-9(8)12)7-4-2-1-3-5-7/h1-6H
InChIKeyVASKWKROZNSZGG-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-phenylpyrimidine?
The IUPAC name of 4,5-dichloro-2-phenylpyrimidine (CID 59762779) is 4,5-dichloro-2-phenylpyrimidine.
What is the SMILES notation for 4,5-dichloro-2-phenylpyrimidine?
The canonical SMILES for 4,5-dichloro-2-phenylpyrimidine is Clc1cnc(-c2ccccc2)nc1Cl.
What is the InChIKey of 4,5-dichloro-2-phenylpyrimidine?
The InChIKey is VASKWKROZNSZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2/c11-8-6-13-10(14-9(8)12)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4,5-dichloro-2-phenylpyrimidine?
4,5-dichloro-2-phenylpyrimidine has a molecular weight of 225.08 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-phenylpyrimidine is sourced from PubChem (CID 59762779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).