4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine

C19H16Cl2N2O2 — CID 142716001

IUPAC4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine
SMILESClCCCOc1ccc(-c2nccc(Oc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16Cl2N2O2/c20-11-1-13-24-16-6-2-14(3-7-16)19-22-12-10-18(23-19)25-17-8-4-15(21)5-9-17/h2-10,12H,1,11,13H2
InChIKeyFKEXFJPWBXMUDP-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.60
Rot. Bonds7

About 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine

4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine (PubChem CID 142716001) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine
PubChem CID142716001
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine
SMILESClCCCOc1ccc(-c2nccc(Oc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16Cl2N2O2/c20-11-1-13-24-16-6-2-14(3-7-16)19-22-12-10-18(23-19)25-17-8-4-15(21)5-9-17/h2-10,12H,1,11,13H2
InChIKeyFKEXFJPWBXMUDP-UHFFFAOYSA-N
XLogP5.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine
CID 159574787
6-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]-1,3-benzoxazole
CID 142715895
1,4-bis(3-chloropropoxy)benzene
CID 20523958
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine
CID 54278545
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119795
N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386454
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
4-phenoxy-2-pyrimidin-2-ylpyrimidine
CID 152601729
2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine
CID 2767763
2-(4-hexoxyphenyl)-4-hexylpyrimidine
CID 70349513

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine?
The IUPAC name of 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine (CID 142716001) is 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine?
The canonical SMILES for 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine is ClCCCOc1ccc(-c2nccc(Oc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine?
The InChIKey is FKEXFJPWBXMUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c20-11-1-13-24-16-6-2-14(3-7-16)19-22-12-10-18(23-19)25-17-8-4-15(21)5-9-17/h2-10,12H,1,11,13H2.
What are the key properties of 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine?
4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine has a molecular weight of 375.26 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]pyrimidine is sourced from PubChem (CID 142716001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).