4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine

C12H19ClN2O2 — CID 112587576

IUPAC4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
SMILESCCc1c(Cl)ncnc1OCCOC(C)(C)C
InChIInChI=1S/C12H19ClN2O2/c1-5-9-10(13)14-8-15-11(9)16-6-7-17-12(2,3)4/h8H,5-7H2,1-4H3
InChIKeyDMCOOALUILHGCD-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.89
Rot. Bonds5

About 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine

4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine (PubChem CID 112587576) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
PubChem CID112587576
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
SMILESCCc1c(Cl)ncnc1OCCOC(C)(C)C
InChIInChI=1S/C12H19ClN2O2/c1-5-9-10(13)14-8-15-11(9)16-6-7-17-12(2,3)4/h8H,5-7H2,1-4H3
InChIKeyDMCOOALUILHGCD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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

5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590958
4-chloro-5-ethyl-6-pentoxypyrimidine
CID 63735031
4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
CID 63735543
4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine
CID 63736584
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
CID 63733980
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-chloro-6-(3-methylbut-3-enoxy)-5-propylpyrimidine
CID 114470129

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine (CID 112587576) is 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine is CCc1c(Cl)ncnc1OCCOC(C)(C)C.
What is the InChIKey of 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine?
The InChIKey is DMCOOALUILHGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-5-9-10(13)14-8-15-11(9)16-6-7-17-12(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine?
4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine has a molecular weight of 258.75 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine is sourced from PubChem (CID 112587576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).