4-(4-ethylphenyl)pyrimidine-2-carbonitrile

C13H11N3 — CID 116900792

IUPAC4-(4-ethylphenyl)pyrimidine-2-carbonitrile
SMILESCCc1ccc(-c2ccnc(C#N)n2)cc1
InChIInChI=1S/C13H11N3/c1-2-10-3-5-11(6-4-10)12-7-8-15-13(9-14)16-12/h3-8H,2H2,1H3
InChIKeyLIFPDSWPDDZQMR-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.58
Rot. Bonds2

About 4-(4-ethylphenyl)pyrimidine-2-carbonitrile

4-(4-ethylphenyl)pyrimidine-2-carbonitrile (PubChem CID 116900792) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-ethylphenyl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-ethylphenyl)pyrimidine-2-carbonitrile
PubChem CID116900792
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name4-(4-ethylphenyl)pyrimidine-2-carbonitrile
SMILESCCc1ccc(-c2ccnc(C#N)n2)cc1
InChIInChI=1S/C13H11N3/c1-2-10-3-5-11(6-4-10)12-7-8-15-13(9-14)16-12/h3-8H,2H2,1H3
InChIKeyLIFPDSWPDDZQMR-UHFFFAOYSA-N
XLogP2.58
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-ethylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900943
4-(4-methylsulfonylphenyl)pyrimidine-2-carbonitrile
CID 116900877
6-(4-ethylphenyl)-2-methylpyridine-3-carbonitrile
CID 82452489
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
2-amino-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 62198217
2-(2-chloroethyl)-4-(4-ethylphenyl)pyrimidine
CID 116899324
4-(4-ethylphenyl)pyrimidine-2-carboxamide
CID 116903987
2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 82119527
2-(ethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 55045466
2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile
CID 39347922
2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine
CID 116903413
4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
CID 19842018

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(4-ethylphenyl)pyrimidine-2-carbonitrile (CID 116900792) is 4-(4-ethylphenyl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(4-ethylphenyl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(4-ethylphenyl)pyrimidine-2-carbonitrile is CCc1ccc(-c2ccnc(C#N)n2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)pyrimidine-2-carbonitrile?
The InChIKey is LIFPDSWPDDZQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-10-3-5-11(6-4-10)12-7-8-15-13(9-14)16-12/h3-8H,2H2,1H3.
What are the key properties of 4-(4-ethylphenyl)pyrimidine-2-carbonitrile?
4-(4-ethylphenyl)pyrimidine-2-carbonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 116900792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).