2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

C19H26BrIN4 — CID 10506052

IUPAC2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCN(CC)c1cc(C)nc(N(CC)c2ccc(I)cc2Br)n1
InChIInChI=1S/C19H26BrIN4/c1-5-8-11-24(6-2)18-12-14(4)22-19(23-18)25(7-3)17-10-9-15(21)13-16(17)20/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyRVHWWFUOCGKGHA-UHFFFAOYSA-N
MW517.25 g/mol
LogP5.94
Rot. Bonds8

About 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 10506052) has the molecular formula C19H26BrIN4 and a molecular weight of 517.25 g/mol. Its IUPAC name is 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID10506052
Molecular FormulaC19H26BrIN4
Molecular Weight517.25 g/mol
Exact Mass516.04
IUPAC Name2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCN(CC)c1cc(C)nc(N(CC)c2ccc(I)cc2Br)n1
InChIInChI=1S/C19H26BrIN4/c1-5-8-11-24(6-2)18-12-14(4)22-19(23-18)25(7-3)17-10-9-15(21)13-16(17)20/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyRVHWWFUOCGKGHA-UHFFFAOYSA-N
XLogP5.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.25
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 10506052) is 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is CCCCN(CC)c1cc(C)nc(N(CC)c2ccc(I)cc2Br)n1.
What is the InChIKey of 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is RVHWWFUOCGKGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrIN4/c1-5-8-11-24(6-2)18-12-14(4)22-19(23-18)25(7-3)17-10-9-15(21)13-16(17)20/h9-10,12-13H,5-8,11H2,1-4H3.
What are the key properties of 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 517.25 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-iodophenyl)-4-N-butyl-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 10506052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).