2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile

C11H17N5 — CID 80811197

IUPAC2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
SMILESCNc1cc(N(C)CC(C)C#N)nc(C)n1
InChIInChI=1S/C11H17N5/c1-8(6-12)7-16(4)11-5-10(13-3)14-9(2)15-11/h5,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyHZQSHSHXIIRJDF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.42
Rot. Bonds4

About 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile

2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile (PubChem CID 80811197) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
PubChem CID80811197
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
SMILESCNc1cc(N(C)CC(C)C#N)nc(C)n1
InChIInChI=1S/C11H17N5/c1-8(6-12)7-16(4)11-5-10(13-3)14-9(2)15-11/h5,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyHZQSHSHXIIRJDF-UHFFFAOYSA-N
XLogP1.42
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile (CID 80811197) is 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile is CNc1cc(N(C)CC(C)C#N)nc(C)n1.
What is the InChIKey of 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile?
The InChIKey is HZQSHSHXIIRJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(6-12)7-16(4)11-5-10(13-3)14-9(2)15-11/h5,8H,7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile?
2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile has a molecular weight of 219.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile is sourced from PubChem (CID 80811197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).