2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile

C13H11FN4 — CID 39346399

IUPAC2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile
SMILESCN(C)c1nc(C#N)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN4/c1-18(2)13-16-11(8-15)7-12(17-13)9-3-5-10(14)6-4-9/h3-7H,1-2H3
InChIKeyUZWXEPQXPNGYPY-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.22
Rot. Bonds2

About 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile

2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile (PubChem CID 39346399) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile
PubChem CID39346399
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile
SMILESCN(C)c1nc(C#N)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN4/c1-18(2)13-16-11(8-15)7-12(17-13)9-3-5-10(14)6-4-9/h3-7H,1-2H3
InChIKeyUZWXEPQXPNGYPY-UHFFFAOYSA-N
XLogP2.22
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile (CID 39346399) is 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile is CN(C)c1nc(C#N)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile?
The InChIKey is UZWXEPQXPNGYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-18(2)13-16-11(8-15)7-12(17-13)9-3-5-10(14)6-4-9/h3-7H,1-2H3.
What are the key properties of 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile?
2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 39346399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).