1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile

C8H9N3O2 — CID 12699236

IUPAC1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H9N3O2/c1-5-6(4-9)7(12)11(3)8(13)10(5)2/h1-3H3
InChIKeyINCGLBRSZJXRLU-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.74
Rot. Bonds

About 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile

1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 12699236) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID12699236
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H9N3O2/c1-5-6(4-9)7(12)11(3)8(13)10(5)2/h1-3H3
InChIKeyINCGLBRSZJXRLU-UHFFFAOYSA-N
XLogP-0.74
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5,6-Tetramethylpyrimidine-2,4(1H,3H)-dione
CID 13076782
1,6-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 14566662
1,5,6-Trimethyluracil
CID 22223251
6-(Dimethylamino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 121553588
1-Cyclopropyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 125449199
2-[(1,3,4-Trimethyl-2,6-dioxopyrimidin-5-yl)methylidene]propanedinitrile
CID 398630
Ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 142067519
(Z)-N-carbamoyl-2-cyano-3-(dimethylamino)but-2-enamide
CID 133628833
3,6-Dimethyluracil-5-carbonitrile
CID 162787545
1,3,5-Trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 142067520
1-Tert-butyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 901781
4-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 10900558

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 12699236) is 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cc1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is INCGLBRSZJXRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-5-6(4-9)7(12)11(3)8(13)10(5)2/h1-3H3.
What are the key properties of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile?
1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 179.18 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 12699236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).