4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine

C11H16ClIN2O — CID 106815017

IUPAC4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine
SMILESCCOCCc1nc(Cl)c(I)c(C(C)C)n1
InChIInChI=1S/C11H16ClIN2O/c1-4-16-6-5-8-14-10(7(2)3)9(13)11(12)15-8/h7H,4-6H2,1-3H3
InChIKeyGIHDSBVOSZMYNU-UHFFFAOYSA-N
MW354.62 g/mol
LogP3.44
Rot. Bonds5

About 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine

4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine (PubChem CID 106815017) has the molecular formula C11H16ClIN2O and a molecular weight of 354.62 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine
PubChem CID106815017
Molecular FormulaC11H16ClIN2O
Molecular Weight354.62 g/mol
Exact Mass354.00
IUPAC Name4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine
SMILESCCOCCc1nc(Cl)c(I)c(C(C)C)n1
InChIInChI=1S/C11H16ClIN2O/c1-4-16-6-5-8-14-10(7(2)3)9(13)11(12)15-8/h7H,4-6H2,1-3H3
InChIKeyGIHDSBVOSZMYNU-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-2-(2-ethoxyethyl)-5-ethylpyrimidine
CID 106815000
4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine
CID 106814990
4-chloro-5-iodo-2-[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine
CID 66293431
5-bromo-4-chloro-2-(2-ethoxyethyl)-6-ethylpyrimidine
CID 106815014
4-chloro-5-iodo-2-[(4-methylphenyl)sulfanylmethyl]-6-propan-2-ylpyrimidine
CID 66292619
4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine
CID 66292183
4-[(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66294245
4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine
CID 106815035
5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine
CID 106815020
5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
CID 106815034
2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300153
5-bromo-4-chloro-2-(3-methoxypropyl)-6-propan-2-ylpyrimidine
CID 66292799

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine (CID 106815017) is 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine is CCOCCc1nc(Cl)c(I)c(C(C)C)n1.
What is the InChIKey of 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine?
The InChIKey is GIHDSBVOSZMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClIN2O/c1-4-16-6-5-8-14-10(7(2)3)9(13)11(12)15-8/h7H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine?
4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine has a molecular weight of 354.62 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine is sourced from PubChem (CID 106815017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).