8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one

C18H20N4O4 — CID 11994378

IUPAC8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one
SMILESCCCn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O
InChIInChI=1S/C18H20N4O4/c1-5-9-22-17(23)16-12(11(2)21-22)7-6-8-13(16)26-18-19-14(24-3)10-15(20-18)25-4/h6-8,10H,5,9H2,1-4H3
InChIKeyJARANVSIBLDFLV-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.71
Rot. Bonds6

About 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one

8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one (PubChem CID 11994378) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one.

Molecular Properties

Compound Name8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one
PubChem CID11994378
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one
SMILESCCCn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O
InChIInChI=1S/C18H20N4O4/c1-5-9-22-17(23)16-12(11(2)21-22)7-6-8-13(16)26-18-19-14(24-3)10-15(20-18)25-4/h6-8,10H,5,9H2,1-4H3
InChIKeyJARANVSIBLDFLV-UHFFFAOYSA-N
XLogP2.71
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-[(2-methylphenyl)methyl]phthalazin-1-one
CID 11994376
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
8-(4,6-dimethoxypyrimidin-2-yl)sulfinyl-4-methyl-2-phenylphthalazin-1-one
CID 67267965
7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethyl-3H-2-benzofuran-1-one
CID 19927468
2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801415
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
ethane;3-methyl-1-propylindazole
CID 144653830
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801417
2-(7-methoxy-3-methylindazol-1-yl)ethanamine
CID 84673302
2-(2-bromoethyl)-6,7-dimethoxy-4-methylphthalazin-1-one
CID 13327031

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one?
The IUPAC name of 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one (CID 11994378) is 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one.
What is the SMILES notation for 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one?
The canonical SMILES for 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one is CCCn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O.
What is the InChIKey of 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one?
The InChIKey is JARANVSIBLDFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-5-9-22-17(23)16-12(11(2)21-22)7-6-8-13(16)26-18-19-14(24-3)10-15(20-18)25-4/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one?
8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one has a molecular weight of 356.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-propylphthalazin-1-one is sourced from PubChem (CID 11994378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).