4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine

C12H9Cl2IN2 — CID 106818019

IUPAC4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
SMILESCc1ccc(-c2nc(C)c(I)c(Cl)n2)cc1Cl
InChIInChI=1S/C12H9Cl2IN2/c1-6-3-4-8(5-9(6)13)12-16-7(2)10(15)11(14)17-12/h3-5H,1-2H3
InChIKeyMSBUFUTZFLNPBX-UHFFFAOYSA-N
MW379.03 g/mol
LogP4.67
Rot. Bonds1

About 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine

4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine (PubChem CID 106818019) has the molecular formula C12H9Cl2IN2 and a molecular weight of 379.03 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
PubChem CID106818019
Molecular FormulaC12H9Cl2IN2
Molecular Weight379.03 g/mol
Exact Mass377.92
IUPAC Name4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
SMILESCc1ccc(-c2nc(C)c(I)c(Cl)n2)cc1Cl
InChIInChI=1S/C12H9Cl2IN2/c1-6-3-4-8(5-9(6)13)12-16-7(2)10(15)11(14)17-12/h3-5H,1-2H3
InChIKeyMSBUFUTZFLNPBX-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.03
LogP ≤ 54.67
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

4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
CID 106818017
4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
CID 66312430
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
CID 106818033
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003
4-chloro-2-(3-fluoro-4-methoxyphenyl)-5-iodo-6-methylpyrimidine
CID 66312624
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160
4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine
CID 79980471
4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66313598
2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine
CID 106818359
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 114590337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine (CID 106818019) is 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine is Cc1ccc(-c2nc(C)c(I)c(Cl)n2)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine?
The InChIKey is MSBUFUTZFLNPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2IN2/c1-6-3-4-8(5-9(6)13)12-16-7(2)10(15)11(14)17-12/h3-5H,1-2H3.
What are the key properties of 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine?
4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine has a molecular weight of 379.03 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 106818019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).