4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

C14H16BrClN4 — CID 107617789

IUPAC4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C14H16BrClN4/c1-4-12-19-13(17-3)8(2)14(20-12)18-9-5-6-10(15)11(16)7-9/h5-7H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyBSUKTOKGLKDMOZ-UHFFFAOYSA-N
MW355.67 g/mol
LogP4.55
Rot. Bonds4

About 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 107617789) has the molecular formula C14H16BrClN4 and a molecular weight of 355.67 g/mol. Its IUPAC name is 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID107617789
Molecular FormulaC14H16BrClN4
Molecular Weight355.67 g/mol
Exact Mass354.02
IUPAC Name4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C14H16BrClN4/c1-4-12-19-13(17-3)8(2)14(20-12)18-9-5-6-10(15)11(16)7-9/h5-7H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyBSUKTOKGLKDMOZ-UHFFFAOYSA-N
XLogP4.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.67
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 107617789) is 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(Nc2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is BSUKTOKGLKDMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4/c1-4-12-19-13(17-3)8(2)14(20-12)18-9-5-6-10(15)11(16)7-9/h5-7H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 355.67 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 107617789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).