2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile

C15H15N3O2 — CID 107545800

IUPAC2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile
SMILESCOCCc1ccc(Oc2nc(C)cc(C#N)n2)cc1
InChIInChI=1S/C15H15N3O2/c1-11-9-13(10-16)18-15(17-11)20-14-5-3-12(4-6-14)7-8-19-2/h3-6,9H,7-8H2,1-2H3
InChIKeyUZRMFESBKGUZCD-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.64
Rot. Bonds5

About 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile

2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107545800) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile
PubChem CID107545800
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile
SMILESCOCCc1ccc(Oc2nc(C)cc(C#N)n2)cc1
InChIInChI=1S/C15H15N3O2/c1-11-9-13(10-16)18-15(17-11)20-14-5-3-12(4-6-14)7-8-19-2/h3-6,9H,7-8H2,1-2H3
InChIKeyUZRMFESBKGUZCD-UHFFFAOYSA-N
XLogP2.64
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile (CID 107545800) is 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile is COCCc1ccc(Oc2nc(C)cc(C#N)n2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is UZRMFESBKGUZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-9-13(10-16)18-15(17-11)20-14-5-3-12(4-6-14)7-8-19-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile?
2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107545800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).