4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C11H14N4O2 — CID 10900558

IUPAC4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(C)/C=C/c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H14N4O2/c1-13(2)6-5-9-8(7-12)10(16)15(4)11(17)14(9)3/h5-6H,1-4H3/b6-5+
InChIKeyBCOHPPOQXKGEMU-AATRIKPKSA-N
MW234.26 g/mol
LogP-0.51
Rot. Bonds2

About 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 10900558) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID10900558
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(C)/C=C/c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H14N4O2/c1-13(2)6-5-9-8(7-12)10(16)15(4)11(17)14(9)3/h5-6H,1-4H3/b6-5+
InChIKeyBCOHPPOQXKGEMU-AATRIKPKSA-N
XLogP-0.51
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 10900558) is 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CN(C)/C=C/c1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is BCOHPPOQXKGEMU-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-13(2)6-5-9-8(7-12)10(16)15(4)11(17)14(9)3/h5-6H,1-4H3/b6-5+.
What are the key properties of 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of -0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 10900558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).