4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine

C13H11Cl3N2 — CID 43557756

IUPAC4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H11Cl3N2/c1-7(2)11-6-12(16)18-13(17-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3
InChIKeyNRPLIVFASXWYGK-UHFFFAOYSA-N
MW301.60 g/mol
LogP5.23
Rot. Bonds2

About 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine

4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine (PubChem CID 43557756) has the molecular formula C13H11Cl3N2 and a molecular weight of 301.60 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine
PubChem CID43557756
Molecular FormulaC13H11Cl3N2
Molecular Weight301.60 g/mol
Exact Mass300.00
IUPAC Name4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H11Cl3N2/c1-7(2)11-6-12(16)18-13(17-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3
InChIKeyNRPLIVFASXWYGK-UHFFFAOYSA-N
XLogP5.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.60
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine (CID 43557756) is 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine?
The InChIKey is NRPLIVFASXWYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2/c1-7(2)11-6-12(16)18-13(17-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3.
What are the key properties of 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine has a molecular weight of 301.60 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 43557756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).