1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile

C10H11N5O3 — CID 79086252

IUPAC1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N5O3/c11-4-6-5-12-1-2-15(6)9(17)7-3-8(16)14-10(18)13-7/h3,6,12H,1-2,5H2,(H2,13,14,16,18)
InChIKeyOCVSXRDZUARSKF-UHFFFAOYSA-N
MW249.23 g/mol
LogP-2.00
Rot. Bonds1

About 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile (PubChem CID 79086252) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile
PubChem CID79086252
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N5O3/c11-4-6-5-12-1-2-15(6)9(17)7-3-8(16)14-10(18)13-7/h3,6,12H,1-2,5H2,(H2,13,14,16,18)
InChIKeyOCVSXRDZUARSKF-UHFFFAOYSA-N
XLogP-2.00
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 55104387
6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66202057
1-(4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79085900
1-(4-fluoro-2-hydroxybenzoyl)piperazine-2-carbonitrile
CID 107015971
1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile
CID 102711618
1-(3-fluoro-4-methylbenzoyl)piperazine-2-carbonitrile
CID 79086259
1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile
CID 79086360
1-(4-ethylbenzoyl)piperazine-2-carbonitrile
CID 79085258
1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile
CID 80642611
methyl 2-cyanopiperazine-1-carboxylate
CID 79091281
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
1-(3-fluoro-4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79086554

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile (CID 79086252) is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile is N#CC1CNCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile?
The InChIKey is OCVSXRDZUARSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c11-4-6-5-12-1-2-15(6)9(17)7-3-8(16)14-10(18)13-7/h3,6,12H,1-2,5H2,(H2,13,14,16,18).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile?
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile has a molecular weight of 249.23 g/mol, XLogP of -2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79086252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).