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

C13H13Cl3N4 — CID 80759449

IUPAC5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl3N4/c1-2-5-17-13-18-7-10(16)12(20-13)19-11-4-3-8(14)6-9(11)15/h3-4,6-7H,2,5H2,1H3,(H2,17,18,19,20)
InChIKeyQGJCSXZYENXOKS-UHFFFAOYSA-N
MW331.63 g/mol
LogP5.00
Rot. Bonds5

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

5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80759449) has the molecular formula C13H13Cl3N4 and a molecular weight of 331.63 g/mol. Its IUPAC name is 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80759449
Molecular FormulaC13H13Cl3N4
Molecular Weight331.63 g/mol
Exact Mass330.02
IUPAC Name5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl3N4/c1-2-5-17-13-18-7-10(16)12(20-13)19-11-4-3-8(14)6-9(11)15/h3-4,6-7H,2,5H2,1H3,(H2,17,18,19,20)
InChIKeyQGJCSXZYENXOKS-UHFFFAOYSA-N
XLogP5.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.63
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107604713
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
4-N-(2-bromo-5-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 82758297
5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107371057
5-chloro-2-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80831318
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80759449) is 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is QGJCSXZYENXOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N4/c1-2-5-17-13-18-7-10(16)12(20-13)19-11-4-3-8(14)6-9(11)15/h3-4,6-7H,2,5H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 331.63 g/mol, XLogP of 5.00, 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-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80759449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).