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

C11H10Cl2N4 — CID 80755519

IUPAC5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)ncc2Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4/c1-6-2-3-9(7(12)4-6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyOPOLGZLQWRIAEZ-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.42
Rot. Bonds2

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

5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 80755519) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID80755519
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)ncc2Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4/c1-6-2-3-9(7(12)4-6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyOPOLGZLQWRIAEZ-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802
4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
CID 80788273
4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80772789
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80760078
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
CID 80755029
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine
CID 80846775
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine (CID 80755519) is 5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(N)ncc2Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is OPOLGZLQWRIAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-6-2-3-9(7(12)4-6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 269.14 g/mol, XLogP of 3.42, 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-chloro-4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80755519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).