5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine

C10H7Cl3N4 — CID 114049792

IUPAC5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)17-10-8(13)9(14)15-4-16-10/h1-4H,(H3,14,15,16,17)
InChIKeyYTVZBBJLYHYCCE-UHFFFAOYSA-N
MW289.55 g/mol
LogP3.76
Rot. Bonds2

About 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine

5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine (PubChem CID 114049792) has the molecular formula C10H7Cl3N4 and a molecular weight of 289.55 g/mol. Its IUPAC name is 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
PubChem CID114049792
Molecular FormulaC10H7Cl3N4
Molecular Weight289.55 g/mol
Exact Mass287.97
IUPAC Name5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)17-10-8(13)9(14)15-4-16-10/h1-4H,(H3,14,15,16,17)
InChIKeyYTVZBBJLYHYCCE-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

5-chloro-4-N-(3,5-dichloro-4-fluorophenyl)pyrimidine-4,6-diamine
CID 114049905
4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80769140
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049862
4-N-(3,4-dichlorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546939
4-N-(3-chloro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80763406
5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
CID 55188251
5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 146091234
methyl 4-[[5-amino-6-(3,4-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 22546860
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
6-chloro-4-N-(4-chloro-3-methylphenyl)pyrimidine-4,5-diamine
CID 86022400
5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine
CID 114049909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine (CID 114049792) is 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine is Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1Cl.
What is the InChIKey of 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is YTVZBBJLYHYCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4/c11-6-2-1-5(3-7(6)12)17-10-8(13)9(14)15-4-16-10/h1-4H,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(3,4-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-(3,4-dichlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114049792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).