4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile

C9H10N4O — CID 137182493

IUPAC4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCN(C)/C=C/c1nc[nH]c(=O)c1C#N
InChIInChI=1S/C9H10N4O/c1-13(2)4-3-8-7(5-10)9(14)12-6-11-8/h3-4,6H,1-2H3,(H,11,12,14)/b4-3+
InChIKeyHDMQUZMDFYAQLA-ONEGZZNKSA-N
MW190.21 g/mol
LogP0.17
Rot. Bonds2

About 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile

4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 137182493) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID137182493
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCN(C)/C=C/c1nc[nH]c(=O)c1C#N
InChIInChI=1S/C9H10N4O/c1-13(2)4-3-8-7(5-10)9(14)12-6-11-8/h3-4,6H,1-2H3,(H,11,12,14)/b4-3+
InChIKeyHDMQUZMDFYAQLA-ONEGZZNKSA-N
XLogP0.17
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile (CID 137182493) is 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile is CN(C)/C=C/c1nc[nH]c(=O)c1C#N.
What is the InChIKey of 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is HDMQUZMDFYAQLA-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13(2)4-3-8-7(5-10)9(14)12-6-11-8/h3-4,6H,1-2H3,(H,11,12,14)/b4-3+.
What are the key properties of 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 190.21 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(dimethylamino)ethenyl]-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 137182493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).