5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine

C10H7Cl3N4 — CID 114049862

IUPAC5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C10H7Cl3N4/c11-5-2-1-3-6(12)8(5)17-10-7(13)9(14)15-4-16-10/h1-4H,(H3,14,15,16,17)
InChIKeyJBLKXCHRDJDFCD-UHFFFAOYSA-N
MW289.55 g/mol
LogP3.76
Rot. Bonds2

About 5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine

5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine (PubChem CID 114049862) has the molecular formula C10H7Cl3N4 and a molecular weight of 289.55 g/mol. Its IUPAC name is 5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine
PubChem CID114049862
Molecular FormulaC10H7Cl3N4
Molecular Weight289.55 g/mol
Exact Mass287.97
IUPAC Name5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C10H7Cl3N4/c11-5-2-1-3-6(12)8(5)17-10-7(13)9(14)15-4-16-10/h1-4H,(H3,14,15,16,17)
InChIKeyJBLKXCHRDJDFCD-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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Related Compounds

4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine
CID 79918000
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049792
6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine
CID 66251442
5-chloro-4-N-(3,5-dichloro-4-fluorophenyl)pyrimidine-4,6-diamine
CID 114049905
3-chloro-2-N-(2,6-dichlorophenyl)pyridine-2,5-diamine
CID 114046251
3-N-(2,6-dichlorophenyl)quinoxaline-2,3-diamine
CID 102986618
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine
CID 114049909
4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80829581
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 106811735
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 114049863

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine (CID 114049862) is 5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine is Nc1ncnc(Nc2c(Cl)cccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is JBLKXCHRDJDFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4/c11-5-2-1-3-6(12)8(5)17-10-7(13)9(14)15-4-16-10/h1-4H,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-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-(2,6-dichlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114049862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).