4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine

C14H23ClN2O4 — CID 104561317

IUPAC4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(OCCOCCOCCOC)n1
InChIInChI=1S/C14H23ClN2O4/c1-3-4-13-16-12(15)11-14(17-13)21-10-9-20-8-7-19-6-5-18-2/h11H,3-10H2,1-2H3
InChIKeyYXKBMIALRXHCNC-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.14
Rot. Bonds12

About 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine

4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine (PubChem CID 104561317) has the molecular formula C14H23ClN2O4 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine
PubChem CID104561317
Molecular FormulaC14H23ClN2O4
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC Name4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(OCCOCCOCCOC)n1
InChIInChI=1S/C14H23ClN2O4/c1-3-4-13-16-12(15)11-14(17-13)21-10-9-20-8-7-19-6-5-18-2/h11H,3-10H2,1-2H3
InChIKeyYXKBMIALRXHCNC-UHFFFAOYSA-N
XLogP2.14
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
6-[3-(2-methoxyethoxy)propoxy]-2-propylpyrimidin-4-amine
CID 103408442
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
[6-[2-(3-methoxypropoxy)ethoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 103176595
4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
CID 82824581
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564267
6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949615
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104561399
4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
CID 80939932
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561376

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine (CID 104561317) is 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine is CCCc1nc(Cl)cc(OCCOCCOCCOC)n1.
What is the InChIKey of 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine?
The InChIKey is YXKBMIALRXHCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O4/c1-3-4-13-16-12(15)11-14(17-13)21-10-9-20-8-7-19-6-5-18-2/h11H,3-10H2,1-2H3.
What are the key properties of 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine?
4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine has a molecular weight of 318.80 g/mol, XLogP of 2.14, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine is sourced from PubChem (CID 104561317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).