5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile

C13H13N5 — CID 80933313

IUPAC5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCCc1nc(NC)cc(-c2cncc(C#N)c2)n1
InChIInChI=1S/C13H13N5/c1-3-12-17-11(5-13(15-2)18-12)10-4-9(6-14)7-16-8-10/h4-5,7-8H,3H2,1-2H3,(H,15,17,18)
InChIKeyIOABLKXJVGPKMS-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.01
Rot. Bonds3

About 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile

5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 80933313) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID80933313
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCCc1nc(NC)cc(-c2cncc(C#N)c2)n1
InChIInChI=1S/C13H13N5/c1-3-12-17-11(5-13(15-2)18-12)10-4-9(6-14)7-16-8-10/h4-5,7-8H,3H2,1-2H3,(H,15,17,18)
InChIKeyIOABLKXJVGPKMS-UHFFFAOYSA-N
XLogP2.01
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile (CID 80933313) is 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile is CCc1nc(NC)cc(-c2cncc(C#N)c2)n1.
What is the InChIKey of 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is IOABLKXJVGPKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-3-12-17-11(5-13(15-2)18-12)10-4-9(6-14)7-16-8-10/h4-5,7-8H,3H2,1-2H3,(H,15,17,18).
What are the key properties of 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile?
5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethyl-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 80933313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).