4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine

C14H12Cl3N3 — CID 79441260

IUPAC4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
SMILESClc1cccc(-c2c(Cl)nc(N3CCCC3)nc2Cl)c1
InChIInChI=1S/C14H12Cl3N3/c15-10-5-3-4-9(8-10)11-12(16)18-14(19-13(11)17)20-6-1-2-7-20/h3-5,8H,1-2,6-7H2
InChIKeyQWWIEBLDJUYRCC-UHFFFAOYSA-N
MW328.63 g/mol
LogP4.70
Rot. Bonds2

About 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine

4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 79441260) has the molecular formula C14H12Cl3N3 and a molecular weight of 328.63 g/mol. Its IUPAC name is 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID79441260
Molecular FormulaC14H12Cl3N3
Molecular Weight328.63 g/mol
Exact Mass327.01
IUPAC Name4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
SMILESClc1cccc(-c2c(Cl)nc(N3CCCC3)nc2Cl)c1
InChIInChI=1S/C14H12Cl3N3/c15-10-5-3-4-9(8-10)11-12(16)18-14(19-13(11)17)20-6-1-2-7-20/h3-5,8H,1-2,6-7H2
InChIKeyQWWIEBLDJUYRCC-UHFFFAOYSA-N
XLogP4.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine (CID 79441260) is 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine is Clc1cccc(-c2c(Cl)nc(N3CCCC3)nc2Cl)c1.
What is the InChIKey of 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is QWWIEBLDJUYRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3/c15-10-5-3-4-9(8-10)11-12(16)18-14(19-13(11)17)20-6-1-2-7-20/h3-5,8H,1-2,6-7H2.
What are the key properties of 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine?
4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 328.63 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 79441260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).