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

C17H23N7O2 — CID 91796944

IUPAC5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)cc1=O
InChIInChI=1S/C17H23N7O2/c1-22-16(26)8-12(10-19-22)23-2-4-24(5-3-23)15-9-14(20-17(18)21-15)11-6-13(25)7-11/h8-11,13,25H,2-7H2,1H3,(H2,18,20,21)
InChIKeyWNQIPEJUJLGUAV-UHFFFAOYSA-N
MW357.42 g/mol
LogP-0.28
Rot. Bonds3

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

5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 91796944) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID91796944
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)cc1=O
InChIInChI=1S/C17H23N7O2/c1-22-16(26)8-12(10-19-22)23-2-4-24(5-3-23)15-9-14(20-17(18)21-15)11-6-13(25)7-11/h8-11,13,25H,2-7H2,1H3,(H2,18,20,21)
InChIKeyWNQIPEJUJLGUAV-UHFFFAOYSA-N
XLogP-0.28
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 91796944) is 5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)cc1=O.
What is the InChIKey of 5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is WNQIPEJUJLGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-22-16(26)8-12(10-19-22)23-2-4-24(5-3-23)15-9-14(20-17(18)21-15)11-6-13(25)7-11/h8-11,13,25H,2-7H2,1H3,(H2,18,20,21).
What are the key properties of 5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 357.42 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 91796944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).