4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine

C11H17ClN2O2 — CID 102927201

IUPAC4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
SMILESCOCCOCCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C11H17ClN2O2/c1-8-9(2)13-10(14-11(8)12)4-5-16-7-6-15-3/h4-7H2,1-3H3
InChIKeyYJVGFZPQMJQVDU-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.95
Rot. Bonds6

About 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine

4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine (PubChem CID 102927201) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
PubChem CID102927201
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
SMILESCOCCOCCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C11H17ClN2O2/c1-8-9(2)13-10(14-11(8)12)4-5-16-7-6-15-3/h4-7H2,1-3H3
InChIKeyYJVGFZPQMJQVDU-UHFFFAOYSA-N
XLogP1.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.95
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-2-(2-methoxyethyl)-5,6-dimethylpyrimidine
CID 61412813
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204
2-methoxy-N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 102929127
5-bromo-4-chloro-2-[2-(2-methoxyethoxy)ethyl]pyrimidine
CID 102927230
N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 102929125
N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 102929114
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 102929117
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 102929118
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945
4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine
CID 63612316
4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine
CID 106814990
2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine
CID 60996520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine (CID 102927201) is 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine is COCCOCCc1nc(C)c(C)c(Cl)n1.
What is the InChIKey of 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine?
The InChIKey is YJVGFZPQMJQVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-8-9(2)13-10(14-11(8)12)4-5-16-7-6-15-3/h4-7H2,1-3H3.
What are the key properties of 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine?
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine has a molecular weight of 244.72 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 102927201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).