4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

C13H15ClN4 — CID 80760295

IUPAC4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4/c1-3-15-13-16-8-9(2)12(18-13)17-11-7-5-4-6-10(11)14/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyGOOLGSDUUFOOBG-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.61
Rot. Bonds4

About 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 80760295) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID80760295
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4/c1-3-15-13-16-8-9(2)12(18-13)17-11-7-5-4-6-10(11)14/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyGOOLGSDUUFOOBG-UHFFFAOYSA-N
XLogP3.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
4-N-(2-tert-butylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80822747
2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759795
4-N-(4-bromo-2,3-dichlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 107794802
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80802333
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884
2-N-(2-chlorophenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589368
5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80754775
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 80760295) is 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(Nc2ccccc2Cl)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is GOOLGSDUUFOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-3-15-13-16-8-9(2)12(18-13)17-11-7-5-4-6-10(11)14/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80760295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).