4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine

C12H19ClN2O2 — CID 80974281

IUPAC4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine
SMILESCCOCCOc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C12H19ClN2O2/c1-5-16-6-7-17-12-9(4)10(13)14-11(15-12)8(2)3/h8H,5-7H2,1-4H3
InChIKeyCLQHPTXGVKHSLV-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.98
Rot. Bonds6

About 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 80974281) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID80974281
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine
SMILESCCOCCOc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C12H19ClN2O2/c1-5-16-6-7-17-12-9(4)10(13)14-11(15-12)8(2)3/h8H,5-7H2,1-4H3
InChIKeyCLQHPTXGVKHSLV-UHFFFAOYSA-N
XLogP2.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.98
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

4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine
CID 103177544
N,5-dimethyl-2-propan-2-yl-6-(2-propoxyethoxy)pyrimidin-4-amine
CID 80990512
4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine
CID 80972734
4-chloro-6-(2-methoxyethoxy)-2,5-dimethylpyrimidine
CID 63735529
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80989543
3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole
CID 43808045
6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 80970520
4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
CID 80973408
4-chloro-5-(ethoxymethyl)-2-propan-2-ylpyrimidine
CID 177012504
6-chloro-4-N-(3-ethoxypropyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82459227
[6-(2-ethoxyethoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80911104
6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine (CID 80974281) is 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine is CCOCCOc1nc(C(C)C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is CLQHPTXGVKHSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-5-16-6-7-17-12-9(4)10(13)14-11(15-12)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 258.75 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80974281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).