4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine

C13H13ClN2O2 — CID 43557828

IUPAC4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccc(-c2nc(C)cc(Cl)n2)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-8-6-12(14)16-13(15-8)9-4-5-10(17-2)11(7-9)18-3/h4-7H,1-3H3
InChIKeyNLXZPMFINABXLG-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.12
Rot. Bonds3

About 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine

4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine (PubChem CID 43557828) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
PubChem CID43557828
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccc(-c2nc(C)cc(Cl)n2)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-8-6-12(14)16-13(15-8)9-4-5-10(17-2)11(7-9)18-3/h4-7H,1-3H3
InChIKeyNLXZPMFINABXLG-UHFFFAOYSA-N
XLogP3.12
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine (CID 43557828) is 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine is COc1ccc(-c2nc(C)cc(Cl)n2)cc1OC.
What is the InChIKey of 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine?
The InChIKey is NLXZPMFINABXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-6-12(14)16-13(15-8)9-4-5-10(17-2)11(7-9)18-3/h4-7H,1-3H3.
What are the key properties of 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine?
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine has a molecular weight of 264.71 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine is sourced from PubChem (CID 43557828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).