4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine

C13H11Cl2IN2 — CID 66293774

IUPAC4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(-c2cccc(Cl)c2)nc(Cl)c1I
InChIInChI=1S/C13H11Cl2IN2/c1-2-4-10-11(16)12(15)18-13(17-10)8-5-3-6-9(14)7-8/h3,5-7H,2,4H2,1H3
InChIKeyBLIJOGGRLZVHBF-UHFFFAOYSA-N
MW393.06 g/mol
LogP5.01
Rot. Bonds3

About 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine

4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine (PubChem CID 66293774) has the molecular formula C13H11Cl2IN2 and a molecular weight of 393.06 g/mol. Its IUPAC name is 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine
PubChem CID66293774
Molecular FormulaC13H11Cl2IN2
Molecular Weight393.06 g/mol
Exact Mass391.93
IUPAC Name4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(-c2cccc(Cl)c2)nc(Cl)c1I
InChIInChI=1S/C13H11Cl2IN2/c1-2-4-10-11(16)12(15)18-13(17-10)8-5-3-6-9(14)7-8/h3,5-7H,2,4H2,1H3
InChIKeyBLIJOGGRLZVHBF-UHFFFAOYSA-N
XLogP5.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.06
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
CID 66291931
2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine
CID 81436468
4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine
CID 66292753
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66294183
4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine
CID 104822846
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111
4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine
CID 66313802
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
CID 66316828
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
CID 56766929
2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 115528487

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine (CID 66293774) is 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine is CCCc1nc(-c2cccc(Cl)c2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine?
The InChIKey is BLIJOGGRLZVHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2IN2/c1-2-4-10-11(16)12(15)18-13(17-10)8-5-3-6-9(14)7-8/h3,5-7H,2,4H2,1H3.
What are the key properties of 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine?
4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine has a molecular weight of 393.06 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine is sourced from PubChem (CID 66293774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).