6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile

C7H7N3O2 — CID 13352862

IUPAC6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
SMILESCCc1[nH]c(=O)[nH]c(=O)c1C#N
InChIInChI=1S/C7H7N3O2/c1-2-5-4(3-8)6(11)10-7(12)9-5/h2H2,1H3,(H2,9,10,11,12)
InChIKeySPWXTMBVXMSFTL-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.50
Rot. Bonds1

About 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile

6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile (PubChem CID 13352862) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
PubChem CID13352862
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
SMILESCCc1[nH]c(=O)[nH]c(=O)c1C#N
InChIInChI=1S/C7H7N3O2/c1-2-5-4(3-8)6(11)10-7(12)9-5/h2H2,1H3,(H2,9,10,11,12)
InChIKeySPWXTMBVXMSFTL-UHFFFAOYSA-N
XLogP-0.50
TPSA89.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 2727494
Uracil, 5-ethyl-6-methyl-
CID 202538
6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 351378
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
6-Methyluracil-5-carbonitrile oxide
CID 139266843
3,6-Dimethyluracil-5-carbonitrile
CID 162787545
5,6-diethyl-1H-pyrimidine-2,4-dione
CID 22951071
5-methyl-2,4-dioxo-1H-pyrimidine-6-carbonitrile
CID 54330609
6-Cyclopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 82410599
2-(2,4-dioxo-1H-pyrimidin-6-yl)propanenitrile
CID 83856786
5-Methyl-6-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 89411807
2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 143790176

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile (CID 13352862) is 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile is CCc1[nH]c(=O)[nH]c(=O)c1C#N.
What is the InChIKey of 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is SPWXTMBVXMSFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-2-5-4(3-8)6(11)10-7(12)9-5/h2H2,1H3,(H2,9,10,11,12).
What are the key properties of 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 165.15 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 13352862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).