4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine

C9H12ClIN2O — CID 66292183

IUPAC4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine
SMILESCCc1nc(CCOC)nc(Cl)c1I
InChIInChI=1S/C9H12ClIN2O/c1-3-6-8(11)9(10)13-7(12-6)4-5-14-2/h3-5H2,1-2H3
InChIKeyKHSCLCWODZCTCX-UHFFFAOYSA-N
MW326.57 g/mol
LogP2.49
Rot. Bonds4

About 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine

4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine (PubChem CID 66292183) has the molecular formula C9H12ClIN2O and a molecular weight of 326.57 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine
PubChem CID66292183
Molecular FormulaC9H12ClIN2O
Molecular Weight326.57 g/mol
Exact Mass325.97
IUPAC Name4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine
SMILESCCc1nc(CCOC)nc(Cl)c1I
InChIInChI=1S/C9H12ClIN2O/c1-3-6-8(11)9(10)13-7(12-6)4-5-14-2/h3-5H2,1-2H3
InChIKeyKHSCLCWODZCTCX-UHFFFAOYSA-N
XLogP2.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine (CID 66292183) is 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine is CCc1nc(CCOC)nc(Cl)c1I.
What is the InChIKey of 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine?
The InChIKey is KHSCLCWODZCTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClIN2O/c1-3-6-8(11)9(10)13-7(12-6)4-5-14-2/h3-5H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine?
4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine has a molecular weight of 326.57 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 66292183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).