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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Related Compounds

5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine
CID 59517761
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
2-phenylquinazoline
CID 158733567
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
methyl 3-(4-chloro-2-phenylpyrimidin-5-yl)propanoate
CID 117225425
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105
5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine
CID 170781390
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
5-bromo-2-phenylpyrimidine
CID 14387745
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 166322102
4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 58731980

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).