4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine

C10H15ClN2O4 — CID 104561380

IUPAC4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine
SMILESCOCCOCCOc1ncnc(Cl)c1OC
InChIInChI=1S/C10H15ClN2O4/c1-14-3-4-16-5-6-17-10-8(15-2)9(11)12-7-13-10/h7H,3-6H2,1-2H3
InChIKeyNGLABSZOOFKXMW-UHFFFAOYSA-N
MW262.69 g/mol
LogP1.18
Rot. Bonds8

About 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine

4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine (PubChem CID 104561380) has the molecular formula C10H15ClN2O4 and a molecular weight of 262.69 g/mol. Its IUPAC name is 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine
PubChem CID104561380
Molecular FormulaC10H15ClN2O4
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine
SMILESCOCCOCCOc1ncnc(Cl)c1OC
InChIInChI=1S/C10H15ClN2O4/c1-14-3-4-16-5-6-17-10-8(15-2)9(11)12-7-13-10/h7H,3-6H2,1-2H3
InChIKeyNGLABSZOOFKXMW-UHFFFAOYSA-N
XLogP1.18
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 51.18
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-5,6-dimethoxypyrimidine
CID 22372060
2,4-Diethoxy-5-methoxypyrimidine
CID 4168582
4-Chloro-5-(difluoromethoxy)-6-prop-2-enoxypyrimidin-2-amine
CID 23358669
4-Chloro-5-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 81718796
4-chloro-5-(difluoromethoxy)-6-ethoxy-N-methylpyrimidin-2-amine
CID 88379016
4-Chloro-5-(difluoromethoxy)-6-ethoxypyrimidin-2-amine
CID 88379063
4-Chloro-6-ethoxy-5-(fluoromethoxy)pyrimidin-2-amine
CID 142635654
5-(2-Fluoroethoxy)-4,6-dimethoxypyrimidine
CID 175788823
4-Chloro-5-methoxy-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
CID 81718708
4-Chloro-5-methoxy-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 81724088
4-Chloro-5-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidine
CID 81724262
5-Methoxy-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 81725731

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine?
The IUPAC name of 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine (CID 104561380) is 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine.
What is the SMILES notation for 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine?
The canonical SMILES for 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine is COCCOCCOc1ncnc(Cl)c1OC.
What is the InChIKey of 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine?
The InChIKey is NGLABSZOOFKXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4/c1-14-3-4-16-5-6-17-10-8(15-2)9(11)12-7-13-10/h7H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine?
4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine has a molecular weight of 262.69 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine is sourced from PubChem (CID 104561380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).