2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane

C10H16Cl2N2O2 — CID 153387391

IUPAC2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane
SMILESCC.CCOCCOc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N2O2.C2H6/c1-2-13-3-4-14-7-6(9)5-11-8(10)12-7;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyMWSLNNBVGSRTEG-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.22
Rot. Bonds5

About 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane

2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane (PubChem CID 153387391) has the molecular formula C10H16Cl2N2O2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane.

Molecular Properties

Compound Name2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane
PubChem CID153387391
Molecular FormulaC10H16Cl2N2O2
Molecular Weight267.16 g/mol
Exact Mass266.06
IUPAC Name2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane
SMILESCC.CCOCCOc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N2O2.C2H6/c1-2-13-3-4-14-7-6(9)5-11-8(10)12-7;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyMWSLNNBVGSRTEG-UHFFFAOYSA-N
XLogP3.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-(3-methylbut-3-enoxy)pyrimidine
CID 114470103
2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine
CID 171097396
2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine
CID 103319718
[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80923947
2,5-dichloro-4-prop-2-ynoxypyrimidine
CID 79632254
2-chloro-5-methyl-4-propoxypyrimidine
CID 79076637
2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
CID 79632151
4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol
CID 174187752
3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole
CID 43808045
2,5-dichloro-4-(4-propylphenoxy)pyrimidine
CID 79632471
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid
CID 114916819

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane?
The IUPAC name of 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane (CID 153387391) is 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane.
What is the SMILES notation for 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane?
The canonical SMILES for 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane is CC.CCOCCOc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane?
The InChIKey is MWSLNNBVGSRTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2.C2H6/c1-2-13-3-4-14-7-6(9)5-11-8(10)12-7;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane?
2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane has a molecular weight of 267.16 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine;ethane is sourced from PubChem (CID 153387391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).