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

C22H22N6O3 — CID 122279579

IUPAC6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)n(-c2ccccc2)c(=O)[nH]1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C22H22N6O3/c29-20-14-18(23-22(31)28(20)16-4-2-1-3-5-16)21(30)27-12-10-26(11-13-27)19-9-8-17(24-25-19)15-6-7-15/h1-5,8-9,14-15H,6-7,10-13H2,(H,23,31)
InChIKeyIKLSPQNNYQTIGQ-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.16
Rot. Bonds4

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

6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 122279579) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione
PubChem CID122279579
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)n(-c2ccccc2)c(=O)[nH]1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C22H22N6O3/c29-20-14-18(23-22(31)28(20)16-4-2-1-3-5-16)21(30)27-12-10-26(11-13-27)19-9-8-17(24-25-19)15-6-7-15/h1-5,8-9,14-15H,6-7,10-13H2,(H,23,31)
InChIKeyIKLSPQNNYQTIGQ-UHFFFAOYSA-N
XLogP1.16
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 122279263
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259
4-(6-cyclopropylpyridazin-3-yl)-N-phenylpiperazine-1-carboxamide
CID 122279690
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]-(4-methylphenyl)methanone
CID 122279228
5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 122279514
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 122279371
6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 122279363
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 122279328
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122246463

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione (CID 122279579) is 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)n(-c2ccccc2)c(=O)[nH]1)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is IKLSPQNNYQTIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c29-20-14-18(23-22(31)28(20)16-4-2-1-3-5-16)21(30)27-12-10-26(11-13-27)19-9-8-17(24-25-19)15-6-7-15/h1-5,8-9,14-15H,6-7,10-13H2,(H,23,31).
What are the key properties of 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione?
6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 418.46 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122279579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).