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

C14H13Cl2IN2O — CID 106819152

IUPAC4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
SMILESCOc1cc(Cl)ccc1-c1nc(Cl)c(I)c(C(C)C)n1
InChIInChI=1S/C14H13Cl2IN2O/c1-7(2)12-11(17)13(16)19-14(18-12)9-5-4-8(15)6-10(9)20-3/h4-7H,1-3H3
InChIKeyHCRWBLHUNPKIIO-UHFFFAOYSA-N
MW423.08 g/mol
LogP5.19
Rot. Bonds3

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

4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine (PubChem CID 106819152) has the molecular formula C14H13Cl2IN2O and a molecular weight of 423.08 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
PubChem CID106819152
Molecular FormulaC14H13Cl2IN2O
Molecular Weight423.08 g/mol
Exact Mass421.94
IUPAC Name4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
SMILESCOc1cc(Cl)ccc1-c1nc(Cl)c(I)c(C(C)C)n1
InChIInChI=1S/C14H13Cl2IN2O/c1-7(2)12-11(17)13(16)19-14(18-12)9-5-4-8(15)6-10(9)20-3/h4-7H,1-3H3
InChIKeyHCRWBLHUNPKIIO-UHFFFAOYSA-N
XLogP5.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.08
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292818
5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 106819726
4-chloro-2-(2-chloro-6-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 104816917
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292208
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
4-chloro-5-iodo-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
CID 66292009
4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
CID 63085175
2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 106819693
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine
CID 106819162
N-[[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 106818714
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine (CID 106819152) is 4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine is COc1cc(Cl)ccc1-c1nc(Cl)c(I)c(C(C)C)n1.
What is the InChIKey of 4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine?
The InChIKey is HCRWBLHUNPKIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2IN2O/c1-7(2)12-11(17)13(16)19-14(18-12)9-5-4-8(15)6-10(9)20-3/h4-7H,1-3H3.
What are the key properties of 4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine?
4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine has a molecular weight of 423.08 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine is sourced from PubChem (CID 106819152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).