4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine

C14H14ClIN2O — CID 66313429

IUPAC4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine
SMILESCCc1nc(-c2ccccc2COC)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O/c1-3-11-12(16)13(15)18-14(17-11)10-7-5-4-6-9(10)8-19-2/h4-7H,3,8H2,1-2H3
InChIKeyHDBXFJWKBRIRRN-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.11
Rot. Bonds4

About 4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine

4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine (PubChem CID 66313429) has the molecular formula C14H14ClIN2O and a molecular weight of 388.64 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine
PubChem CID66313429
Molecular FormulaC14H14ClIN2O
Molecular Weight388.64 g/mol
Exact Mass387.98
IUPAC Name4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine
SMILESCCc1nc(-c2ccccc2COC)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O/c1-3-11-12(16)13(15)18-14(17-11)10-7-5-4-6-9(10)8-19-2/h4-7H,3,8H2,1-2H3
InChIKeyHDBXFJWKBRIRRN-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.11
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-(methoxymethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine (CID 66313429) is 4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine is CCc1nc(-c2ccccc2COC)nc(Cl)c1I.
What is the InChIKey of 4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine?
The InChIKey is HDBXFJWKBRIRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O/c1-3-11-12(16)13(15)18-14(17-11)10-7-5-4-6-9(10)8-19-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine?
4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine has a molecular weight of 388.64 g/mol, XLogP of 4.11, 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-(methoxymethyl)phenyl]pyrimidine is sourced from PubChem (CID 66313429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).