2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine

C14H14N2O2 — CID 163359846

IUPAC2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine
SMILESCOc1ccc(C=Cc2ncccn2)cc1OC
InChIInChI=1S/C14H14N2O2/c1-17-12-6-4-11(10-13(12)18-2)5-7-14-15-8-3-9-16-14/h3-10H,1-2H3
InChIKeyPGTLBVXJOJUUKA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.66
Rot. Bonds4

About 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine

2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine (PubChem CID 163359846) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine
PubChem CID163359846
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine
SMILESCOc1ccc(C=Cc2ncccn2)cc1OC
InChIInChI=1S/C14H14N2O2/c1-17-12-6-4-11(10-13(12)18-2)5-7-14-15-8-3-9-16-14/h3-10H,1-2H3
InChIKeyPGTLBVXJOJUUKA-UHFFFAOYSA-N
XLogP2.66
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine (CID 163359846) is 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine is COc1ccc(C=Cc2ncccn2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine?
The InChIKey is PGTLBVXJOJUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-12-6-4-11(10-13(12)18-2)5-7-14-15-8-3-9-16-14/h3-10H,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine?
2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine has a molecular weight of 242.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidine is sourced from PubChem (CID 163359846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).