6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one

C21H27N7O2 — CID 122334466

IUPAC6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C21H27N7O2/c29-20-13-17(16-3-4-16)22-15-28(20)14-21(30)27-11-9-26(10-12-27)19-6-5-18(23-24-19)25-7-1-2-8-25/h5-6,13,15-16H,1-4,7-12,14H2
InChIKeyVPCAIHZZWMCYPC-UHFFFAOYSA-N
MW409.49 g/mol
LogP0.86
Rot. Bonds5

About 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one (PubChem CID 122334466) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
PubChem CID122334466
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C21H27N7O2/c29-20-13-17(16-3-4-16)22-15-28(20)14-21(30)27-11-9-26(10-12-27)19-6-5-18(23-24-19)25-7-1-2-8-25/h5-6,13,15-16H,1-4,7-12,14H2
InChIKeyVPCAIHZZWMCYPC-UHFFFAOYSA-N
XLogP0.86
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122339344
6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122339848
6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122337587
6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 139028946
3-[2-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 122279486
6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122348489
6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122332651
6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122350448
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
CID 146080150
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298321
3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121060067

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one (CID 122334466) is 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one is O=C(Cn1cnc(C2CC2)cc1=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one?
The InChIKey is VPCAIHZZWMCYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c29-20-13-17(16-3-4-16)22-15-28(20)14-21(30)27-11-9-26(10-12-27)19-6-5-18(23-24-19)25-7-1-2-8-25/h5-6,13,15-16H,1-4,7-12,14H2.
What are the key properties of 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one?
6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 409.49 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 122334466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).