2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile

C9H12N4O — CID 82402763

IUPAC2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile
SMILESCC(C#N)c1cc(N(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H12N4O/c1-6(5-10)7-4-8(13(2)3)12-9(14)11-7/h4,6H,1-3H3,(H,11,12,14)
InChIKeyFMYJUILTIHHROS-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.46
Rot. Bonds2

About 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile

2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile (PubChem CID 82402763) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile
PubChem CID82402763
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile
SMILESCC(C#N)c1cc(N(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H12N4O/c1-6(5-10)7-4-8(13(2)3)12-9(14)11-7/h4,6H,1-3H3,(H,11,12,14)
InChIKeyFMYJUILTIHHROS-UHFFFAOYSA-N
XLogP0.46
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile?
The IUPAC name of 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile (CID 82402763) is 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile.
What is the SMILES notation for 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile?
The canonical SMILES for 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile is CC(C#N)c1cc(N(C)C)nc(=O)[nH]1.
What is the InChIKey of 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile?
The InChIKey is FMYJUILTIHHROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6(5-10)7-4-8(13(2)3)12-9(14)11-7/h4,6H,1-3H3,(H,11,12,14).
What are the key properties of 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile?
2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile has a molecular weight of 192.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]propanenitrile is sourced from PubChem (CID 82402763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).