2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile

C15H15FN4 — CID 135321199

IUPAC2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile
SMILESCC(C)C(Nc1ncc(C#N)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN4/c1-10(2)14(12-3-5-13(16)6-4-12)20-15-18-8-11(7-17)9-19-15/h3-6,8-10,14H,1-2H3,(H,18,19,20)
InChIKeyVFEAYFKHWAYPKK-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.30
Rot. Bonds4

About 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile

2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile (PubChem CID 135321199) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile
PubChem CID135321199
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile
SMILESCC(C)C(Nc1ncc(C#N)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN4/c1-10(2)14(12-3-5-13(16)6-4-12)20-15-18-8-11(7-17)9-19-15/h3-6,8-10,14H,1-2H3,(H,18,19,20)
InChIKeyVFEAYFKHWAYPKK-UHFFFAOYSA-N
XLogP3.30
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile (CID 135321199) is 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile is CC(C)C(Nc1ncc(C#N)cn1)c1ccc(F)cc1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is VFEAYFKHWAYPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-10(2)14(12-3-5-13(16)6-4-12)20-15-18-8-11(7-17)9-19-15/h3-6,8-10,14H,1-2H3,(H,18,19,20).
What are the key properties of 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile?
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 135321199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).