2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine

C17H21BrCl2N4 — CID 10646364

IUPAC2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(Br)cc2Cl)n1
InChIInChI=1S/C17H21BrCl2N4/c1-5-23(6-2)15-8-11(4)21-17(22-15)24(7-3)16-13(19)9-12(18)10-14(16)20/h8-10H,5-7H2,1-4H3
InChIKeyUWZGCBKUBPSOFQ-UHFFFAOYSA-N
MW432.19 g/mol
LogP5.86
Rot. Bonds6

About 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine

2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 10646364) has the molecular formula C17H21BrCl2N4 and a molecular weight of 432.19 g/mol. Its IUPAC name is 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
PubChem CID10646364
Molecular FormulaC17H21BrCl2N4
Molecular Weight432.19 g/mol
Exact Mass430.03
IUPAC Name2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(Br)cc2Cl)n1
InChIInChI=1S/C17H21BrCl2N4/c1-5-23(6-2)15-8-11(4)21-17(22-15)24(7-3)16-13(19)9-12(18)10-14(16)20/h8-10H,5-7H2,1-4H3
InChIKeyUWZGCBKUBPSOFQ-UHFFFAOYSA-N
XLogP5.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.19
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine (CID 10646364) is 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(Br)cc2Cl)n1.
What is the InChIKey of 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is UWZGCBKUBPSOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrCl2N4/c1-5-23(6-2)15-8-11(4)21-17(22-15)24(7-3)16-13(19)9-12(18)10-14(16)20/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine?
2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 432.19 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 10646364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).