N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide

C12H16N4O — CID 130228136

IUPACN-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C12H16N4O/c1-12(2,3)5-4-11(17)16-9-7-14-10(6-13)15-8-9/h7-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyVARHKJCRXGYGQT-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.11
Rot. Bonds3

About N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide

N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide (PubChem CID 130228136) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide
PubChem CID130228136
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C12H16N4O/c1-12(2,3)5-4-11(17)16-9-7-14-10(6-13)15-8-9/h7-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyVARHKJCRXGYGQT-UHFFFAOYSA-N
XLogP2.11
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide?
The IUPAC name of N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide (CID 130228136) is N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)Nc1cnc(C#N)nc1.
What is the InChIKey of N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide?
The InChIKey is VARHKJCRXGYGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,3)5-4-11(17)16-9-7-14-10(6-13)15-8-9/h7-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide?
N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide has a molecular weight of 232.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopyrimidin-5-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 130228136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).