6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one

C12H13ClN4O2 — CID 126477480

IUPAC6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2cc(C)nc(Cl)n2)ccc1=O
InChIInChI=1S/C12H13ClN4O2/c1-3-6-17-11(18)5-4-9(16-17)19-10-7-8(2)14-12(13)15-10/h4-5,7H,3,6H2,1-2H3
InChIKeyRNWSFBPFXJWBEM-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.20
Rot. Bonds4

About 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one

6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one (PubChem CID 126477480) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one
PubChem CID126477480
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2cc(C)nc(Cl)n2)ccc1=O
InChIInChI=1S/C12H13ClN4O2/c1-3-6-17-11(18)5-4-9(16-17)19-10-7-8(2)14-12(13)15-10/h4-5,7H,3,6H2,1-2H3
InChIKeyRNWSFBPFXJWBEM-UHFFFAOYSA-N
XLogP2.20
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-Methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide
CID 937707
6-{[2-(ethylsulfanyl)-6-methylpyrimidin-4-yl]oxy}-2-methylpyridazin-3(2H)-one
CID 662406
6-[(2-Chloro-6-methylpyrimidin-4-yl)oxy]pyridazin-3-ol
CID 1714073
3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one
CID 660550
6-[(4-Ethoxy-6-methyl-2-pyrimidinyl)oxy]-3-pyridazinol
CID 891080
Ethyl ({4-methyl-6-[(1-methyl-6-oxo-1,6-dihydro-3-pyridazinyl)oxy]-2-pyrimidinyl}thio)acetate
CID 936064
6-{[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}pyridazin-3-ol
CID 709436
2-methyl-6-({4-methyl-6-[(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy]pyrimidin-2-yl}oxy)pyridazin-3(2H)-one
CID 756053
6-((4-methoxy-6-methylpyrimidin-2-yl)oxy)-2-methylpyridazin-3(2H)-one
CID 659885
2-Methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one
CID 709439
6-((2-((6-hydroxypyridazin-3-yl)oxy)-6-methylpyrimidin-4-yl)oxy)-2-methylpyridazin-3(2H)-one
CID 662330
1-[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 53609919

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one?
The IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one (CID 126477480) is 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one?
The canonical SMILES for 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one is CCCn1nc(Oc2cc(C)nc(Cl)n2)ccc1=O.
What is the InChIKey of 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one?
The InChIKey is RNWSFBPFXJWBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-3-6-17-11(18)5-4-9(16-17)19-10-7-8(2)14-12(13)15-10/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one?
6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one has a molecular weight of 280.72 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methylpyrimidin-4-yl)oxy-2-propylpyridazin-3-one is sourced from PubChem (CID 126477480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).