5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one

C18H24N6O2 — CID 91785832

IUPAC5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCc1nc(C2CC(O)C2)cc(N2CCN(c3cnn(C)c(=O)c3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-12-20-16(13-7-15(25)8-13)10-17(21-12)24-5-3-23(4-6-24)14-9-18(26)22(2)19-11-14/h9-11,13,15,25H,3-8H2,1-2H3
InChIKeyMNWWYKDXGQRZBV-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.44
Rot. Bonds3

About 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 91785832) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID91785832
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCc1nc(C2CC(O)C2)cc(N2CCN(c3cnn(C)c(=O)c3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-12-20-16(13-7-15(25)8-13)10-17(21-12)24-5-3-23(4-6-24)14-9-18(26)22(2)19-11-14/h9-11,13,15,25H,3-8H2,1-2H3
InChIKeyMNWWYKDXGQRZBV-UHFFFAOYSA-N
XLogP0.44
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 91785832) is 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one is Cc1nc(C2CC(O)C2)cc(N2CCN(c3cnn(C)c(=O)c3)CC2)n1.
What is the InChIKey of 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is MNWWYKDXGQRZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-20-16(13-7-15(25)8-13)10-17(21-12)24-5-3-23(4-6-24)14-9-18(26)22(2)19-11-14/h9-11,13,15,25H,3-8H2,1-2H3.
What are the key properties of 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 356.43 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 91785832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).