5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine

C9H15BrN4 — CID 66302250

IUPAC5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ncc(Br)c(NC)n1
InChIInChI=1S/C9H15BrN4/c1-4-14(5-2)9-12-6-7(10)8(11-3)13-9/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyXQQBQKCLCONHIW-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.13
Rot. Bonds4

About 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine

5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 66302250) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID66302250
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ncc(Br)c(NC)n1
InChIInChI=1S/C9H15BrN4/c1-4-14(5-2)9-12-6-7(10)8(11-3)13-9/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyXQQBQKCLCONHIW-UHFFFAOYSA-N
XLogP2.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine (CID 66302250) is 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine is CCN(CC)c1ncc(Br)c(NC)n1.
What is the InChIKey of 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is XQQBQKCLCONHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-4-14(5-2)9-12-6-7(10)8(11-3)13-9/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine?
5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 259.15 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 66302250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).