4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine

C15H16ClIN2 — CID 66313802

IUPAC4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(-c2cc(C)ccc2C)nc(Cl)c1I
InChIInChI=1S/C15H16ClIN2/c1-4-5-12-13(17)14(16)19-15(18-12)11-8-9(2)6-7-10(11)3/h6-8H,4-5H2,1-3H3
InChIKeyJCTKTZLQPZRFOG-UHFFFAOYSA-N
MW386.66 g/mol
LogP4.97
Rot. Bonds3

About 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine

4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine (PubChem CID 66313802) has the molecular formula C15H16ClIN2 and a molecular weight of 386.66 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine
PubChem CID66313802
Molecular FormulaC15H16ClIN2
Molecular Weight386.66 g/mol
Exact Mass386.00
IUPAC Name4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(-c2cc(C)ccc2C)nc(Cl)c1I
InChIInChI=1S/C15H16ClIN2/c1-4-5-12-13(17)14(16)19-15(18-12)11-8-9(2)6-7-10(11)3/h6-8H,4-5H2,1-3H3
InChIKeyJCTKTZLQPZRFOG-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.66
LogP ≤ 54.97
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-chloro-2-(2-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66294183
5-bromo-4-chloro-2-(2,5-dimethylphenyl)-6-ethylpyrimidine
CID 66313424
4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66293774
4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine
CID 66292753
4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine
CID 104822846
2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine
CID 81436468
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
4-chloro-6-ethyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidine
CID 81312976
5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine
CID 66307571
6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66313769
4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline
CID 63496783
4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 66314762

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine (CID 66313802) is 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine is CCCc1nc(-c2cc(C)ccc2C)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine?
The InChIKey is JCTKTZLQPZRFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN2/c1-4-5-12-13(17)14(16)19-15(18-12)11-8-9(2)6-7-10(11)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine?
4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine has a molecular weight of 386.66 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dimethylphenyl)-5-iodo-6-propylpyrimidine is sourced from PubChem (CID 66313802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).