N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

C11H19BrN4 — CID 100673413

IUPACN'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN(C)C)c1ncncc1Br
InChIInChI=1S/C11H19BrN4/c1-9(2)16(6-5-15(3)4)11-10(12)7-13-8-14-11/h7-9H,5-6H2,1-4H3
InChIKeyFUDFRXTUOXLDEM-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.02
Rot. Bonds5

About N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 100673413) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID100673413
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC NameN'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN(C)C)c1ncncc1Br
InChIInChI=1S/C11H19BrN4/c1-9(2)16(6-5-15(3)4)11-10(12)7-13-8-14-11/h7-9H,5-6H2,1-4H3
InChIKeyFUDFRXTUOXLDEM-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (CID 100673413) is N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN(C)C)c1ncncc1Br.
What is the InChIKey of N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is FUDFRXTUOXLDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-9(2)16(6-5-15(3)4)11-10(12)7-13-8-14-11/h7-9H,5-6H2,1-4H3.
What are the key properties of N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-4-yl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 100673413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).