5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine

C11H18BrN3 — CID 23423535

IUPAC5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine
SMILESCC(C)CCC(C)Nc1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-8(2)4-5-9(3)15-11-13-6-10(12)7-14-11/h6-9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyXHGLAFSGCMUQGA-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.48
Rot. Bonds5

About 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine

5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine (PubChem CID 23423535) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine
PubChem CID23423535
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine
SMILESCC(C)CCC(C)Nc1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-8(2)4-5-9(3)15-11-13-6-10(12)7-14-11/h6-9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyXHGLAFSGCMUQGA-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine (CID 23423535) is 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine is CC(C)CCC(C)Nc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine?
The InChIKey is XHGLAFSGCMUQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(2)4-5-9(3)15-11-13-6-10(12)7-14-11/h6-9H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine?
5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine has a molecular weight of 272.19 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-methylhexan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 23423535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).