5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile

C15H17N5 — CID 80976246

IUPAC5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCNc1nc(C(C)C)nc(-c2cncc(C#N)c2)c1C
InChIInChI=1S/C15H17N5/c1-9(2)14-19-13(10(3)15(17-4)20-14)12-5-11(6-16)7-18-8-12/h5,7-9H,1-4H3,(H,17,19,20)
InChIKeyOTVGQASTYSUAKT-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.88
Rot. Bonds3

About 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile

5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 80976246) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID80976246
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCNc1nc(C(C)C)nc(-c2cncc(C#N)c2)c1C
InChIInChI=1S/C15H17N5/c1-9(2)14-19-13(10(3)15(17-4)20-14)12-5-11(6-16)7-18-8-12/h5,7-9H,1-4H3,(H,17,19,20)
InChIKeyOTVGQASTYSUAKT-UHFFFAOYSA-N
XLogP2.88
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile (CID 80976246) is 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile is CNc1nc(C(C)C)nc(-c2cncc(C#N)c2)c1C.
What is the InChIKey of 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is OTVGQASTYSUAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-9(2)14-19-13(10(3)15(17-4)20-14)12-5-11(6-16)7-18-8-12/h5,7-9H,1-4H3,(H,17,19,20).
What are the key properties of 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile?
5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 80976246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).