5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine

C12H19ClN2O2 — CID 112588533

IUPAC5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
SMILESCc1nc(OCCOC(C)(C)C)ncc1CCl
InChIInChI=1S/C12H19ClN2O2/c1-9-10(7-13)8-14-11(15-9)16-5-6-17-12(2,3)4/h8H,5-7H2,1-4H3
InChIKeyGYBQRYDUQCZJFD-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.72
Rot. Bonds5

About 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine

5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine (PubChem CID 112588533) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
PubChem CID112588533
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
SMILESCc1nc(OCCOC(C)(C)C)ncc1CCl
InChIInChI=1S/C12H19ClN2O2/c1-9-10(7-13)8-14-11(15-9)16-5-6-17-12(2,3)4/h8H,5-7H2,1-4H3
InChIKeyGYBQRYDUQCZJFD-UHFFFAOYSA-N
XLogP2.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 115942748
5-(chloromethyl)-4-methyl-2-octoxypyrimidine
CID 83184945
5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine
CID 83184339
5-(chloromethyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidine
CID 102722607
2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83188927
5-(chloromethyl)-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 83183815
5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine
CID 83184425
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687
5-(chloromethyl)-2-(4,4-dimethylcyclohexyl)oxy-4-methylpyrimidine
CID 114341774
N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine
CID 130993339
5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
CID 83184065
[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol
CID 83184389

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine (CID 112588533) is 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine is Cc1nc(OCCOC(C)(C)C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine?
The InChIKey is GYBQRYDUQCZJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-9-10(7-13)8-14-11(15-9)16-5-6-17-12(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine?
5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine has a molecular weight of 258.75 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine is sourced from PubChem (CID 112588533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).