5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione

C21H22N6O4 — CID 122279514

IUPAC5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)n(Cc2ccco2)c1=O)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C21H22N6O4/c28-19(16-12-22-21(30)27(20(16)29)13-15-2-1-11-31-15)26-9-7-25(8-10-26)18-6-5-17(23-24-18)14-3-4-14/h1-2,5-6,11-12,14H,3-4,7-10,13H2,(H,22,30)
InChIKeyUZOHZGSPTGMQDK-UHFFFAOYSA-N
MW422.45 g/mol
LogP0.81
Rot. Bonds5

About 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione

5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 122279514) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID122279514
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)n(Cc2ccco2)c1=O)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C21H22N6O4/c28-19(16-12-22-21(30)27(20(16)29)13-15-2-1-11-31-15)26-9-7-25(8-10-26)18-6-5-17(23-24-18)14-3-4-14/h1-2,5-6,11-12,14H,3-4,7-10,13H2,(H,22,30)
InChIKeyUZOHZGSPTGMQDK-UHFFFAOYSA-N
XLogP0.81
TPSA117.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
4-[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 121025857
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025855
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 122279263
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione
CID 122279579
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259
N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 122279514) is 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)n(Cc2ccco2)c1=O)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UZOHZGSPTGMQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c28-19(16-12-22-21(30)27(20(16)29)13-15-2-1-11-31-15)26-9-7-25(8-10-26)18-6-5-17(23-24-18)14-3-4-14/h1-2,5-6,11-12,14H,3-4,7-10,13H2,(H,22,30).
What are the key properties of 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 422.45 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122279514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).