4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine

C11H16ClIN2O — CID 66292140

IUPAC4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(C(C)OCC)nc(Cl)c1I
InChIInChI=1S/C11H16ClIN2O/c1-4-6-8-9(13)10(12)15-11(14-8)7(3)16-5-2/h7H,4-6H2,1-3H3
InChIKeyDDDYXJZPCXNILR-UHFFFAOYSA-N
MW354.62 g/mol
LogP3.78
Rot. Bonds5

About 4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine

4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine (PubChem CID 66292140) has the molecular formula C11H16ClIN2O and a molecular weight of 354.62 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine
PubChem CID66292140
Molecular FormulaC11H16ClIN2O
Molecular Weight354.62 g/mol
Exact Mass354.00
IUPAC Name4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(C(C)OCC)nc(Cl)c1I
InChIInChI=1S/C11H16ClIN2O/c1-4-6-8-9(13)10(12)15-11(14-8)7(3)16-5-2/h7H,4-6H2,1-3H3
InChIKeyDDDYXJZPCXNILR-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 53.78
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-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine (CID 66292140) is 4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine is CCCc1nc(C(C)OCC)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine?
The InChIKey is DDDYXJZPCXNILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClIN2O/c1-4-6-8-9(13)10(12)15-11(14-8)7(3)16-5-2/h7H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine?
4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine has a molecular weight of 354.62 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine is sourced from PubChem (CID 66292140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).