3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one

C16H26N2O4 — CID 160694361

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one
SMILESCCCCCC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)C
InChIInChI=1S/C16H26N2O4/c1-6-7-8-9-12(19)15(11(2)3)22-16-17-13(20-4)10-14(18-16)21-5/h10-11,15H,6-9H2,1-5H3
InChIKeyVRNNQVQTUKIOIZ-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.05
Rot. Bonds10

About 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one

3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one (PubChem CID 160694361) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one
PubChem CID160694361
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one
SMILESCCCCCC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)C
InChIInChI=1S/C16H26N2O4/c1-6-7-8-9-12(19)15(11(2)3)22-16-17-13(20-4)10-14(18-16)21-5/h10-11,15H,6-9H2,1-5H3
InChIKeyVRNNQVQTUKIOIZ-UHFFFAOYSA-N
XLogP3.05
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate
CID 15676624
2-(4,6-dimethoxypyrimidin-2-yl)oxy-2,3-dimethylbutanoic acid;methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbutanoate
CID 158464839
2-(4-methoxyphenyl)octan-3-one
CID 71426807
1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea
CID 27255463
(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
CID 67674533
1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one
CID 115355584
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 70661909
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
2-hydroxy-3-phenylmethoxyhenicosan-4-one
CID 67839705
ethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbut-2-enoate
CID 54461614
25-methylnonatetracontane-24,26-dione
CID 173069947

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one (CID 160694361) is 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one is CCCCCC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)C.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one?
The InChIKey is VRNNQVQTUKIOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-6-7-8-9-12(19)15(11(2)3)22-16-17-13(20-4)10-14(18-16)21-5/h10-11,15H,6-9H2,1-5H3.
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one?
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one has a molecular weight of 310.39 g/mol, XLogP of 3.05, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one is sourced from PubChem (CID 160694361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).