2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine

C14H8Cl4N4O — CID 159574787

IUPAC2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine
SMILESClc1ccc(Oc2ccnc(Cl)n2)cc1.Clc1ccnc(Cl)n1
InChIInChI=1S/C10H6Cl2N2O.C4H2Cl2N2/c11-7-1-3-8(4-2-7)15-9-5-6-13-10(12)14-9;5-3-1-2-7-4(6)8-3/h1-6H;1-2H
InChIKeyMIGNEJHECBHNRW-UHFFFAOYSA-N
MW390.06 g/mol
LogP5.36
Rot. Bonds2

About 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine

2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine (PubChem CID 159574787) has the molecular formula C14H8Cl4N4O and a molecular weight of 390.06 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine
PubChem CID159574787
Molecular FormulaC14H8Cl4N4O
Molecular Weight390.06 g/mol
Exact Mass387.95
IUPAC Name2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine
SMILESClc1ccc(Oc2ccnc(Cl)n2)cc1.Clc1ccnc(Cl)n1
InChIInChI=1S/C10H6Cl2N2O.C4H2Cl2N2/c11-7-1-3-8(4-2-7)15-9-5-6-13-10(12)14-9;5-3-1-2-7-4(6)8-3/h1-6H;1-2H
InChIKeyMIGNEJHECBHNRW-UHFFFAOYSA-N
XLogP5.36
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.06
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine
CID 162220727
4-chloro-2-(4-chlorophenoxy)pyrimidine
CID 22675151
4-(4-tert-butylphenoxy)-2-chloropyrimidine
CID 55065851
2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
CID 60726000
2,4-dichloropyrimidine;hydrochloride
CID 75485240
2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
CID 53486073
4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine
CID 142716001
2-chloro-4-(3-fluorophenoxy)pyrimidine
CID 53486075
4-chloro-2-(4-methylphenoxy)pyrimidine
CID 22675087
2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
CID 64854240
N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 21486829
1,4-bis(4-chlorophenoxy)benzene
CID 10996522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine?
The IUPAC name of 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine (CID 159574787) is 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine.
What is the SMILES notation for 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine?
The canonical SMILES for 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine is Clc1ccc(Oc2ccnc(Cl)n2)cc1.Clc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine?
The InChIKey is MIGNEJHECBHNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O.C4H2Cl2N2/c11-7-1-3-8(4-2-7)15-9-5-6-13-10(12)14-9;5-3-1-2-7-4(6)8-3/h1-6H;1-2H.
What are the key properties of 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine?
2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine has a molecular weight of 390.06 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine is sourced from PubChem (CID 159574787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).