5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine

C13H13Cl2IN4 — CID 107604713

IUPAC5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2ccc(I)cc2Cl)n1
InChIInChI=1S/C13H13Cl2IN4/c1-2-5-17-13-18-7-10(15)12(20-13)19-11-4-3-8(16)6-9(11)14/h3-4,6-7H,2,5H2,1H3,(H2,17,18,19,20)
InChIKeySOYUWIIXSIGILF-UHFFFAOYSA-N
MW423.09 g/mol
LogP4.95
Rot. Bonds5

About 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 107604713) has the molecular formula C13H13Cl2IN4 and a molecular weight of 423.09 g/mol. Its IUPAC name is 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID107604713
Molecular FormulaC13H13Cl2IN4
Molecular Weight423.09 g/mol
Exact Mass421.96
IUPAC Name5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2ccc(I)cc2Cl)n1
InChIInChI=1S/C13H13Cl2IN4/c1-2-5-17-13-18-7-10(15)12(20-13)19-11-4-3-8(16)6-9(11)14/h3-4,6-7H,2,5H2,1H3,(H2,17,18,19,20)
InChIKeySOYUWIIXSIGILF-UHFFFAOYSA-N
XLogP4.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.09
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759449
5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
5-chloro-4-N-(2,5-dichloro-4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 104728637
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
5-chloro-4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754901
4-N-(5-bromo-2-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 80788732
5-chloro-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762137
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
4-N-(2-bromo-5-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 82758297
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
4-N-(3-bromo-5-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 107580882
5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107371057

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine (CID 107604713) is 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(Nc2ccc(I)cc2Cl)n1.
What is the InChIKey of 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is SOYUWIIXSIGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2IN4/c1-2-5-17-13-18-7-10(15)12(20-13)19-11-4-3-8(16)6-9(11)14/h3-4,6-7H,2,5H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 423.09 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 107604713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).