4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile

C14H14N4O — CID 82168391

IUPAC4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile
SMILESCc1ccc(OCCc2ncc(C#N)c(N)n2)cc1
InChIInChI=1S/C14H14N4O/c1-10-2-4-12(5-3-10)19-7-6-13-17-9-11(8-15)14(16)18-13/h2-5,9H,6-7H2,1H3,(H2,16,17,18)
InChIKeyJDYUSDIPNGTKCY-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.86
Rot. Bonds4

About 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile

4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile (PubChem CID 82168391) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile
PubChem CID82168391
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile
SMILESCc1ccc(OCCc2ncc(C#N)c(N)n2)cc1
InChIInChI=1S/C14H14N4O/c1-10-2-4-12(5-3-10)19-7-6-13-17-9-11(8-15)14(16)18-13/h2-5,9H,6-7H2,1H3,(H2,16,17,18)
InChIKeyJDYUSDIPNGTKCY-UHFFFAOYSA-N
XLogP1.86
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile (CID 82168391) is 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile is Cc1ccc(OCCc2ncc(C#N)c(N)n2)cc1.
What is the InChIKey of 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile?
The InChIKey is JDYUSDIPNGTKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-2-4-12(5-3-10)19-7-6-13-17-9-11(8-15)14(16)18-13/h2-5,9H,6-7H2,1H3,(H2,16,17,18).
What are the key properties of 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile?
4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 82168391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).