2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine

C14H14Cl2N2O3 — CID 90166295

IUPAC2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine
SMILESCOc1cc(OC)c(Cl)c(COc2cnc(Cl)nc2)c1C
InChIInChI=1S/C14H14Cl2N2O3/c1-8-10(7-21-9-5-17-14(16)18-6-9)13(15)12(20-3)4-11(8)19-2/h4-6H,7H2,1-3H3
InChIKeyJYKMKCWISGXLES-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.69
Rot. Bonds5

About 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine

2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine (PubChem CID 90166295) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine
PubChem CID90166295
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine
SMILESCOc1cc(OC)c(Cl)c(COc2cnc(Cl)nc2)c1C
InChIInChI=1S/C14H14Cl2N2O3/c1-8-10(7-21-9-5-17-14(16)18-6-9)13(15)12(20-3)4-11(8)19-2/h4-6H,7H2,1-3H3
InChIKeyJYKMKCWISGXLES-UHFFFAOYSA-N
XLogP3.69
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine?
The IUPAC name of 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine (CID 90166295) is 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine is COc1cc(OC)c(Cl)c(COc2cnc(Cl)nc2)c1C.
What is the InChIKey of 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine?
The InChIKey is JYKMKCWISGXLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-8-10(7-21-9-5-17-14(16)18-6-9)13(15)12(20-3)4-11(8)19-2/h4-6H,7H2,1-3H3.
What are the key properties of 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine?
2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine has a molecular weight of 329.18 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine is sourced from PubChem (CID 90166295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).