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

C12H11Cl3N4 — CID 80760116

IUPAC5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl3N4/c1-2-16-12-17-6-9(15)11(19-12)18-10-4-3-7(13)5-8(10)14/h3-6H,2H2,1H3,(H2,16,17,18,19)
InChIKeyYVJSPNCJYAZQSA-UHFFFAOYSA-N
MW317.61 g/mol
LogP4.61
Rot. Bonds4

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

5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80760116) has the molecular formula C12H11Cl3N4 and a molecular weight of 317.61 g/mol. Its IUPAC name is 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80760116
Molecular FormulaC12H11Cl3N4
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl3N4/c1-2-16-12-17-6-9(15)11(19-12)18-10-4-3-7(13)5-8(10)14/h3-6H,2H2,1H3,(H2,16,17,18,19)
InChIKeyYVJSPNCJYAZQSA-UHFFFAOYSA-N
XLogP4.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759449
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
4-N-(4-bromo-2,3-dichlorophenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 107794871
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 103587868
5-chloro-4-N-(2,3-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80797692
5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107604713
5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80760360
5-chloro-2-N-ethyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647139
2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80760195
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 104725527

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine (CID 80760116) is 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Cl)c(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is YVJSPNCJYAZQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4/c1-2-16-12-17-6-9(15)11(19-12)18-10-4-3-7(13)5-8(10)14/h3-6H,2H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 317.61 g/mol, XLogP of 4.61, 4 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-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80760116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).