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

C14H14Cl2N2O2 — CID 90163976

IUPAC2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine
SMILESCOc1cc(C)c(Cl)c(COc2cnc(Cl)nc2)c1C
InChIInChI=1S/C14H14Cl2N2O2/c1-8-4-12(19-3)9(2)11(13(8)15)7-20-10-5-17-14(16)18-6-10/h4-6H,7H2,1-3H3
InChIKeySVVWBENAXRCEDS-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.99
Rot. Bonds4

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

2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine (PubChem CID 90163976) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine
PubChem CID90163976
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine
SMILESCOc1cc(C)c(Cl)c(COc2cnc(Cl)nc2)c1C
InChIInChI=1S/C14H14Cl2N2O2/c1-8-4-12(19-3)9(2)11(13(8)15)7-20-10-5-17-14(16)18-6-10/h4-6H,7H2,1-3H3
InChIKeySVVWBENAXRCEDS-UHFFFAOYSA-N
XLogP3.99
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine?
The IUPAC name of 2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine (CID 90163976) is 2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine is COc1cc(C)c(Cl)c(COc2cnc(Cl)nc2)c1C.
What is the InChIKey of 2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine?
The InChIKey is SVVWBENAXRCEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-8-4-12(19-3)9(2)11(13(8)15)7-20-10-5-17-14(16)18-6-10/h4-6H,7H2,1-3H3.
What are the key properties of 2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine?
2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine has a molecular weight of 313.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine is sourced from PubChem (CID 90163976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).