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

C10H7Cl3N4 — CID 80759585

IUPAC5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl3N4/c11-5-1-2-8(6(12)3-5)16-9-7(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyJTBAIDKZECBBTG-UHFFFAOYSA-N
MW289.55 g/mol
LogP3.76
Rot. Bonds2

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

5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 80759585) has the molecular formula C10H7Cl3N4 and a molecular weight of 289.55 g/mol. Its IUPAC name is 5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
PubChem CID80759585
Molecular FormulaC10H7Cl3N4
Molecular Weight289.55 g/mol
Exact Mass287.97
IUPAC Name5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl3N4/c11-5-1-2-8(6(12)3-5)16-9-7(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyJTBAIDKZECBBTG-UHFFFAOYSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine (CID 80759585) is 5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine is Nc1ncc(Cl)c(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is JTBAIDKZECBBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4/c11-5-1-2-8(6(12)3-5)16-9-7(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 289.55 g/mol, XLogP of 3.76, 2 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)pyrimidine-2,4-diamine is sourced from PubChem (CID 80759585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).