2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one

C10H9ClN4O — CID 80664594

IUPAC2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one
SMILESCc1cc(Cl)nc(Cn2ncccc2=O)n1
InChIInChI=1S/C10H9ClN4O/c1-7-5-8(11)14-9(13-7)6-15-10(16)3-2-4-12-15/h2-5H,6H2,1H3
InChIKeyRYRKVBXCSBCUQF-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.04
Rot. Bonds2

About 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one

2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one (PubChem CID 80664594) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one
PubChem CID80664594
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one
SMILESCc1cc(Cl)nc(Cn2ncccc2=O)n1
InChIInChI=1S/C10H9ClN4O/c1-7-5-8(11)14-9(13-7)6-15-10(16)3-2-4-12-15/h2-5H,6H2,1H3
InChIKeyRYRKVBXCSBCUQF-UHFFFAOYSA-N
XLogP1.04
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one (CID 80664594) is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one is Cc1cc(Cl)nc(Cn2ncccc2=O)n1.
What is the InChIKey of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is RYRKVBXCSBCUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-7-5-8(11)14-9(13-7)6-15-10(16)3-2-4-12-15/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one?
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 236.66 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 80664594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).