4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine

C13H11Cl2IN2O — CID 66311636

IUPAC4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1cccc(-c2nc(Cl)c(I)c(Cl)n2)c1
InChIInChI=1S/C13H11Cl2IN2O/c1-7(2)19-9-5-3-4-8(6-9)13-17-11(14)10(16)12(15)18-13/h3-7H,1-2H3
InChIKeyHKSGYTSGKSCNRI-UHFFFAOYSA-N
MW409.05 g/mol
LogP4.84
Rot. Bonds3

About 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine

4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine (PubChem CID 66311636) has the molecular formula C13H11Cl2IN2O and a molecular weight of 409.05 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine
PubChem CID66311636
Molecular FormulaC13H11Cl2IN2O
Molecular Weight409.05 g/mol
Exact Mass407.93
IUPAC Name4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1cccc(-c2nc(Cl)c(I)c(Cl)n2)c1
InChIInChI=1S/C13H11Cl2IN2O/c1-7(2)19-9-5-3-4-8(6-9)13-17-11(14)10(16)12(15)18-13/h3-7H,1-2H3
InChIKeyHKSGYTSGKSCNRI-UHFFFAOYSA-N
XLogP4.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.05
LogP ≤ 54.84
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-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66313598
4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 63405768
4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline
CID 61382194
5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66314230
4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 83240232
4-chloro-2-(3-ethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292609
4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
CID 66316828
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66296589
3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779237
N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295324
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine (CID 66311636) is 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine is CC(C)Oc1cccc(-c2nc(Cl)c(I)c(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is HKSGYTSGKSCNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2IN2O/c1-7(2)19-9-5-3-4-8(6-9)13-17-11(14)10(16)12(15)18-13/h3-7H,1-2H3.
What are the key properties of 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine?
4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 409.05 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 66311636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).