N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine

C9H14BrClN4 — CID 79073683

IUPACN-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1nc(Cl)ncc1Br
InChIInChI=1S/C9H14BrClN4/c1-3-15(2)5-4-12-8-7(10)6-13-9(11)14-8/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyBQHURJGUBSHIHC-UHFFFAOYSA-N
MW293.60 g/mol
LogP2.26
Rot. Bonds5

About N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 79073683) has the molecular formula C9H14BrClN4 and a molecular weight of 293.60 g/mol. Its IUPAC name is N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID79073683
Molecular FormulaC9H14BrClN4
Molecular Weight293.60 g/mol
Exact Mass292.01
IUPAC NameN-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1nc(Cl)ncc1Br
InChIInChI=1S/C9H14BrClN4/c1-3-15(2)5-4-12-8-7(10)6-13-9(11)14-8/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyBQHURJGUBSHIHC-UHFFFAOYSA-N
XLogP2.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.60
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 79073683) is N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1nc(Cl)ncc1Br.
What is the InChIKey of N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is BQHURJGUBSHIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrClN4/c1-3-15(2)5-4-12-8-7(10)6-13-9(11)14-8/h6H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 293.60 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79073683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).