2-methyl-2-pyrimidin-4-ylpropanenitrile

C8H9N3 — CID 130544390

IUPAC2-methyl-2-pyrimidin-4-ylpropanenitrile
SMILESCC(C)(C#N)c1ccncn1
InChIInChI=1S/C8H9N3/c1-8(2,5-9)7-3-4-10-6-11-7/h3-4,6H,1-2H3
InChIKeyOQYOVGKGTPSBDA-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.28
Rot. Bonds1

About 2-methyl-2-pyrimidin-4-ylpropanenitrile

2-methyl-2-pyrimidin-4-ylpropanenitrile (PubChem CID 130544390) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-methyl-2-pyrimidin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-pyrimidin-4-ylpropanenitrile
PubChem CID130544390
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-methyl-2-pyrimidin-4-ylpropanenitrile
SMILESCC(C)(C#N)c1ccncn1
InChIInChI=1S/C8H9N3/c1-8(2,5-9)7-3-4-10-6-11-7/h3-4,6H,1-2H3
InChIKeyOQYOVGKGTPSBDA-UHFFFAOYSA-N
XLogP1.28
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrimidin-4-ylpropanenitrile?
The IUPAC name of 2-methyl-2-pyrimidin-4-ylpropanenitrile (CID 130544390) is 2-methyl-2-pyrimidin-4-ylpropanenitrile.
What is the SMILES notation for 2-methyl-2-pyrimidin-4-ylpropanenitrile?
The canonical SMILES for 2-methyl-2-pyrimidin-4-ylpropanenitrile is CC(C)(C#N)c1ccncn1.
What is the InChIKey of 2-methyl-2-pyrimidin-4-ylpropanenitrile?
The InChIKey is OQYOVGKGTPSBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-8(2,5-9)7-3-4-10-6-11-7/h3-4,6H,1-2H3.
What are the key properties of 2-methyl-2-pyrimidin-4-ylpropanenitrile?
2-methyl-2-pyrimidin-4-ylpropanenitrile has a molecular weight of 147.18 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrimidin-4-ylpropanenitrile is sourced from PubChem (CID 130544390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).